Methyl 3-(N-(2-chloro-4-methylphenyl)sulfamoyl)-4-fluorobenzo[b]thiophene-2-carboxylate CAS 941919-15-9

Purity 97%+In StockPharmaceutical Standards
CAS No.941919-15-9
Molecular FormulaC17H13ClFNO4S2
Molecular Weight413.87 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 3-(N-(2-chloro-4-methylphenyl)sulfamoyl)-4-fluorobenzo[b]thiophene-2-carboxylate CAS 941919-15-9 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 Methyl 3-(N-(2-chloro-4-methylphenyl)sulfamoyl)-4-fluorobenzo[b]thiophene-2-carboxylate.

Methyl 3-(N-(2-chloro-4-methylphenyl)sulfamoyl)-4-fluorobenzo[b]thiophene-2-carboxylate (CAS 941919-15-9), molecular formula C17H13ClFNO4S2 and molecular weight 413.87 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of Methyl 3-(N-(2-chloro-4-methylphenyl)sulfamoyl)-4-fluorobenzo[b]thiophene-2-carboxylate (C17H13ClFNO4S2) is characterized by a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC17H13ClFNO4S2
Molecular Weight413.87 g/mol
Purity97%+
StorageStore at room temperature, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF/Cl-containing
Nitrogen Atoms1
Sulfur Atoms2

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