5-Hexyl-7-(S-methylsulfonimidoyl)-9-oxo-9H-xanthene-2-carboxylic acid CAS 58761-87-8

Purity 97%+In StockPharmaceutical Standards
CAS No.58761-87-8
Molecular FormulaC21H23NO5S
Molecular Weight401.48 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-Hexyl-7-(S-methylsulfonimidoyl)-9-oxo-9H-xanthene-2-carboxylic acid CAS 58761-87-8 chemical structure

Description

The molecular framework of 5-Hexyl-7-(S-methylsulfonimidoyl)-9-oxo-9H-xanthene-2-carboxylic acid (C21H23NO5S) 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. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

5-Hexyl-7-(S-methylsulfonimidoyl)-9-oxo-9H-xanthene-2-carboxylic acid (CAS 58761-87-8) is a high-purity analytical reference standard with the molecular formula C21H23NO5S and a molecular weight of 401.48 g/mol.

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 FormulaC21H23NO5S
Molecular Weight401.48 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
Degree of Unsaturation (DBE)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1973
Nitrogen Atoms1
Sulfur Atoms1

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