Sodium 4-(4-bromophenyl)-2-(4-fluorobenzamido)thiophene-3-carboxylate CAS 1133104-47-8

Purity 97%+In StockPharmaceutical Standards
CAS No.1133104-47-8
Molecular FormulaC16H16N5O7S
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Sodium 4-(4-bromophenyl)-2-(4-fluorobenzamido)thiophene-3-carboxylate CAS 1133104-47-8 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 445.38 g/mol gives Sodium 4-(4-bromophenyl)-2-(4-fluorobenzamido)thiophene-3-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Sodium 4-(4-bromophenyl)-2-(4-fluorobenzamido)thiophene-3-carboxylate (CAS 1133104-47-8) is a high-purity analytical reference standard with the molecular formula C16H16N5O7SNa and a molecular weight of 445.38 g/mol.

The molecular framework of Sodium 4-(4-bromophenyl)-2-(4-fluorobenzamido)thiophene-3-carboxylate (C16H16N5O7SNa) is characterized by a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 FormulaC16H16N5O7S Na
Molecular Weight445.38 g/mol
Purity97%+
StorageStore in a cool place (≤25°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
Degree of Unsaturation (DBE)11.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1989
Nitrogen Atoms5
Sulfur Atoms1

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