2-Thiophenepropanoic acid, 4-bromo-β-[[(R)-(1,1-dimethylethyl)sulfinyl]amino]-β-methyl-, methyl ester, (βS)- CAS 917777-02-7

Purity 97%+In StockPharmaceutical Standards
CAS No.917777-02-7
Molecular FormulaC13H20BrNO3S2
Molecular Weight382.34 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Thiophenepropanoic acid, 4-bromo-β-[[(R)-(1,1-dimethylethyl)sulfinyl]amino]-β-methyl-, methyl ester, (βS)- CAS 917777-02-7 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-Thiophenepropanoic acid, 4-bromo-β-[[(R)-(1,1-dimethylethyl)sulfinyl]amino]-β-methyl-, methyl ester, (βS)-.

2-Thiophenepropanoic acid, 4-bromo-β-[[(R)-(1,1-dimethylethyl)sulfinyl]amino]-β-methyl-, methyl ester, (βS)- (CAS 917777-02-7), molecular formula C13H20BrNO3S2 and molecular weight 382.34 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 2-Thiophenepropanoic acid, 4-bromo-β-[[(R)-(1,1-dimethylethyl)sulfinyl]amino]-β-methyl-, methyl ester, (βS)- (C13H20BrNO3S2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 382.34 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

CATO manufactures 2-Thiophenepropanoic acid, 4-bromo-β-[[(R)-(1,1-dimethylethyl)sulfinyl]amino]-β-methyl-, methyl ester, (βS)- under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC13H20BrNO3S2
Molecular Weight382.34 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)4.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentBr-containing
Nitrogen Atoms1
Sulfur Atoms2

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