2-(tert-Butyl)-4-methoxyphenol-d₃

Name: 2-(tert-Butyl)-4-methoxyphenol-d 3
Brand: MedChemExpress
SKU: HY-W010037S
Rating: 4.5 (1 reviews)

Cat. No.: HY-W010037S: Data Sheet Handling Instructions
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2-(tert-Butyl)-4-methoxyphenol-d₃ is deuterium labeled 2-(tert-Butyl)-4-methoxyphenol.

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

2-(tert-Butyl)-4-methoxyphenol-d<sub>3</sub>

2-(tert-Butyl)-4-methoxyphenol-d₃ Chemical Structure

CAS No. : 85013-37-2

Size	Stock	Quantity
1 mg	Get quote 2-4 weeks 2-4 weeks 2-4 weeks 2-4 weeks	Estimated Time of Arrival: December 31
5 mg	Get quote 2-4 weeks 2-4 weeks 2-4 weeks 2-4 weeks	Estimated Time of Arrival: December 31
10 mg	Get quote 2-4 weeks 2-4 weeks 2-4 weeks 2-4 weeks	Estimated Time of Arrival: December 31
50 mg	Get quote
100 mg	Get quote

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Other Forms of 2-(tert-Butyl)-4-methoxyphenol-d₃:

2-(tert-Butyl)-4-methoxyphenol In-stock

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Purity & Documentation
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Description

2-(tert-Butyl)-4-methoxyphenol-d₃ is deuterium labeled 2-(tert-Butyl)-4-methoxyphenol.

Application

1. This compound can be used as a tracer.
2. This compound can be used as an internal standard for quantitative analysis by NMR, GC-MS, or LC-MS.

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

183.26

Formula

C₁₁H₁₃D₃O₂

CAS No.

85013-37-2

Unlabeled CAS

121-00-6

Appearance

Solid

SMILES

CC(C)(C1=CC(OC([2H])([2H])[2H])=CC=C1O)C

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

-20°C, stored under nitrogen

*In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen)

Solvent & Solubility

In Vitro:

DMSO : ≥ 100 mg/mL (545.67 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

*"≥" means soluble, but saturation unknown.

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	5.4567 mL	27.2836 mL	54.5673 mL
5 mM	1.0913 mL	5.4567 mL	10.9135 mL
10 mM	0.5457 mL	2.7284 mL	5.4567 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 (stored under nitrogen). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

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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 Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

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μL

Number of animals

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

Calculation results:

Working solution concentration: mg/mL

Purity & Documentation

Handling Instructions (2659 KB)

References

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;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	5.4567 mL	27.2836 mL	54.5673 mL	136.4182 mL
	5 mM	1.0913 mL	5.4567 mL	10.9135 mL	27.2836 mL
	10 mM	0.5457 mL	2.7284 mL	5.4567 mL	13.6418 mL
	15 mM	0.3638 mL	1.8189 mL	3.6378 mL	9.0945 mL
	20 mM	0.2728 mL	1.3642 mL	2.7284 mL	6.8209 mL
	25 mM	0.2183 mL	1.0913 mL	2.1827 mL	5.4567 mL
	30 mM	0.1819 mL	0.9095 mL	1.8189 mL	4.5473 mL
	40 mM	0.1364 mL	0.6821 mL	1.3642 mL	3.4105 mL
	50 mM	0.1091 mL	0.5457 mL	1.0913 mL	2.7284 mL
	60 mM	0.0909 mL	0.4547 mL	0.9095 mL	2.2736 mL
	80 mM	0.0682 mL	0.3410 mL	0.6821 mL	1.7052 mL
	100 mM	0.0546 mL	0.2728 mL	0.5457 mL	1.3642 mL