Description

(3,3,4,4,4-D5)-(E/Z)-1-[4-(2-Chloroethoxy)Phenyl]-1-[4-Hydroxyphenyl]-2-Phenyl-1-Butene CAS NO 1020719-27-0 is a deuterated stilbene derivative, a high-value specialty chemical used as a key intermediate in advanced pharmaceutical research and development. Its core value lies in its role as a stable isotope-labeled analog, which is critical for pharmacokinetic, metabolic, and bioanalytical studies in drug discovery. This compound is essential for researchers and manufacturers in the pharmaceutical industry, particularly those developing novel therapeutics where precise metabolic tracing is required.

Application

• Pharmaceutical Intermediate: Serves as a critical building block in the synthesis of deuterated drug candidates for improved metabolic stability and pharmacokinetic profiles.
• Metabolic Tracer: Used as a stable isotope-labeled internal standard in Liquid Chromatography-Mass Spectrometry (LC-MS) and Gas Chromatography-Mass Spectrometry (GC-MS) for accurate quantitative bioanalysis.
• Drug Discovery Research: Employed in preclinical studies to investigate drug metabolism and disposition (DMPK) pathways.
• Reference Standard: Acts as a certified reference material (CRM) for method development and validation in analytical laboratories.
• Chemical Biology Probe: Utilized in mechanistic studies to trace biochemical pathways and understand biological interactions at the molecular level.
• Isotope Effect Studies: Fundamental for researching the kinetic isotope effect (KIE) in chemical and enzymatic reactions.

Basic Information

Product Name	(3,3,4,4,4-D5)-(E/Z)-1-[4-(2-Chloroethoxy)Phenyl]-1-[4-Hydroxyphenyl]-2-Phenyl-1-Butene
CAS No.	1020719-27-0
Molecular Formula	C24H19D5ClO2
Molecular Weight	~394.93 g/mol (deuterated form)
Synonyms	Deuterated Chlorotrianisene Derivative; D5-Chlorotrianisene Analog; 1-[4-(2-Chloroethoxy)phenyl]-1-(4-hydroxyphenyl)-2-phenyl-1-butene-d5; (E/Z)-1,1-Bis(4-hydroxyphenyl)-2-phenyl-1-butene-3,3,4,4,4-d5 4'-(2-Chloroethyl) Ether; Deuterated Stilbestrol Derivative; Isotope-labeled SERM Intermediate; 1020719-27-0; Chlorotrianisene-d5 Intermediate
EINECS	Contact for details

Quality Control

This high-purity deuterated compound is manufactured under strict quality control protocols to ensure batch-to-batch consistency and reliability for sensitive research applications. Quality is verified through a suite of analytical techniques including NMR (¹H, ¹³C, and ²H), HPLC, and Mass Spectrometry to confirm isotopic enrichment, chemical purity, and structural identity. A comprehensive Certificate of Analysis (COA) detailing purity, isotopic purity (D-enrichment), and impurity profile is provided with each batch.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) in a dry environment. For long-term storage, consider storing under an inert atmosphere (e.g., argon or nitrogen) to maintain stability.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (²H NMR/MS)	≥ 98 atom % D
Chemical Purity (by HPLC)	≥ 97.0%
Residual Solvents (GC)	Meets ICH Q3C guidelines
Water Content (KF)	≤ 0.5%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.