3-Chloro-4-fluoro-N-(5-methylisoxazol-3-yl)benzo[b]thiophene-2-carboxamide CAS 588675-34-7

Purity 97%+In StockPharmaceutical Standards
CAS No.588675-34-7
Molecular FormulaC13H8ClFN2O2S
Molecular Weight310.73 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Chloro-4-fluoro-N-(5-methylisoxazol-3-yl)benzo[b]thiophene-2-carboxamide CAS 588675-34-7 chemical structure

Description

The occurrence of 3-Chloro-4-fluoro-N-(5-methylisoxazol-3-yl)benzo[b]thiophene-2-carboxamide is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

3-Chloro-4-fluoro-N-(5-methylisoxazol-3-yl)benzo[b]thiophene-2-carboxamide (CAS 588675-34-7) is a high-purity analytical reference standard with the molecular formula C13H8ClFN2O2S and a molecular weight of 310.73 g/mol.

The molecular framework of 3-Chloro-4-fluoro-N-(5-methylisoxazol-3-yl)benzo[b]thiophene-2-carboxamide (C13H8ClFN2O2S) is characterized by a nitrogen-containing heterocyclic scaffold, 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 its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.

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 FormulaC13H8ClFN2O2S
Molecular Weight310.73 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
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)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1984
Halogen ContentF/Cl-containing
Nitrogen Atoms2
Sulfur Atoms1

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