Mono-Cyclohexyl Phthalate-3,4,5,6-d₄

Name: Mono-Cyclohexyl Phthalate-3,4,5,6-d 4
Brand: MedChemExpress
SKU: HY-151911S
Rating: 4.5 (1 reviews)

Cat. No.: HY-151911S Purity: 99.07%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

Mono-Cyclohexyl Phthalate-3,4,5,6-d₄ is the deuterium labeled Mono-Cyclohexyl Phthalate[1].

For research use only. We do not sell to patients.

Mono-Cyclohexyl Phthalate-3,4,5,6-d<sub>4</sub> Chemical Structure

Mono-Cyclohexyl Phthalate-3,4,5,6-d₄ Chemical Structure

CAS No. : 1398066-18-6

Size	Price	Stock	Quantity
5 mg	USD 140	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 230	In-stock	Estimated Time of Arrival: December 31
50 mg		Get quote
100 mg		Get quote

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Based on 1 publication(s) in Google Scholar

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Biological Activity
Purity & Documentation
References
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Description

Mono-Cyclohexyl Phthalate-3,4,5,6-d₄ is the deuterium labeled Mono-Cyclohexyl Phthalate[1].

In Vitro

Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Molecular Weight

252.30

Formula

C₁₄H₁₂D₄O₄

CAS No.

1398066-18-6

Appearance

Solid

Color

White to off-white

SMILES

O=C(C1=C(C([2H])=C([2H])C([2H])=C1[2H])C(O)=O)OC2CCCCC2

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (396.35 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	3.9635 mL	19.8177 mL	39.6354 mL
5 mM	0.7927 mL	3.9635 mL	7.9271 mL
10 mM	0.3964 mL	1.9818 mL	3.9635 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molarity Calculator
Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.5 mg/mL (9.91 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (9.91 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 2.5 mg/mL (9.91 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 99.07%

Select Batch:

Data Sheet (274 KB) SDS (251 KB)

COA (252 KB) HNMR (832 KB) RP-HPLC (1368 KB)

Handling Instructions (2659 KB)

References

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	3.9635 mL	19.8177 mL	39.6354 mL	99.0884 mL
	5 mM	0.7927 mL	3.9635 mL	7.9271 mL	19.8177 mL
	10 mM	0.3964 mL	1.9818 mL	3.9635 mL	9.9088 mL
	15 mM	0.2642 mL	1.3212 mL	2.6424 mL	6.6059 mL
	20 mM	0.1982 mL	0.9909 mL	1.9818 mL	4.9544 mL
	25 mM	0.1585 mL	0.7927 mL	1.5854 mL	3.9635 mL
	30 mM	0.1321 mL	0.6606 mL	1.3212 mL	3.3029 mL
	40 mM	0.0991 mL	0.4954 mL	0.9909 mL	2.4772 mL
	50 mM	0.0793 mL	0.3964 mL	0.7927 mL	1.9818 mL
	60 mM	0.0661 mL	0.3303 mL	0.6606 mL	1.6515 mL
	80 mM	0.0495 mL	0.2477 mL	0.4954 mL	1.2386 mL
	100 mM	0.0396 mL	0.1982 mL	0.3964 mL	0.9909 mL