Description

3-[2-[(2,3,4,5,6-2H5)Phenyl]Propyl]-4-Hydroxy-2H-1-Benzopyran-2-One is a deuterated derivative of the bioactive coumarin compound, 4-hydroxy-3-(3-phenylpropyl)-2H-chromen-2-one. This deuterium-labeled analog is a critical tool in modern pharmaceutical research and development, offering enhanced metabolic stability for more accurate pharmacokinetic and metabolic studies. It is primarily utilized by analytical chemists and research scientists in pharmaceutical, agrochemical, and academic laboratories for use as an internal standard in mass spectrometry, enabling precise quantification and reliable data in complex biological matrices.

Application

• Internal Standard for LC-MS/MS: Serves as a stable, isotopically labeled internal standard for the precise quantification of its non-deuterated counterpart in bioanalytical methods, ensuring high accuracy and reproducibility in pharmacokinetic studies.
• Drug Metabolism and Pharmacokinetics (DMPK): Used in ADME (Absorption, Distribution, Metabolism, Excretion) studies to track drug disposition, investigate metabolic pathways, and identify metabolites without interference from endogenous compounds.
• Pharmaceutical Impurity Profiling: Employed as a reference standard in the development and validation of analytical methods to detect and quantify related substances and degradation products in active pharmaceutical ingredients (APIs).
• Biomedical Research: Facilitates mechanistic studies in biochemistry and pharmacology where the role of the parent coumarin scaffold is investigated, leveraging the deuterium label for tracking and differentiation.
• Agrochemical Analysis: Applied in environmental and residue analysis for compounds with similar structural backbones, improving the reliability of detection methods in complex samples.

Basic Information

Product Name	3-[2-[(2,3,4,5,6-2H5)Phenyl]Propyl]-4-Hydroxy-2H-1-Benzopyran-2-One
CAS No.	121513-38-0
Molecular Formula	C18H13D5O3
Molecular Weight	~291.36 g/mol
Synonyms	4-Hydroxy-3-(3-(pentadeuterophenyl)propyl)-2H-chromen-2-one; Deuterated 4-Hydroxy-3-(3-phenylpropyl)coumarin; 3-(3-(Phenyl-d5)propyl)-4-hydroxy-2H-chromen-2-one; 4-Hydroxy-3-(3-phenyl-d5-propyl)coumarin; d5-4-Hydroxy-3-(3-phenylpropyl)coumarin; Pentadeutero-4-hydroxy-3-(3-phenylpropyl)coumarin; Isotopically Labeled Coumarin Derivative; CAS 121513-38-0
EINECS	Contact for details

Quality Control

Every batch of our deuterated compounds is manufactured and tested under strict quality management systems. We guarantee high chemical purity and isotopic enrichment, with specifications typically meeting or exceeding the requirements for use as certified reference materials in regulated bioanalysis. Comprehensive testing includes identity confirmation (NMR, MS), assay (HPLC), and determination of isotopic purity. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting all critical quality attributes.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) in a dry environment. This material is light-sensitive (store away from light). For long-term storage, consider storing desiccated under inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (IR)	Conforms to structure
Identification (MS)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (deuterium)	≥ 98 atom % D
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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