4-((4-Chlorophenyl)sulfonyl)-6-(ethylsulfonyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylic acid CAS 866051-02-7

Purity 97%+In StockPharmaceutical Standards
CAS No.866051-02-7
Molecular FormulaC17H16ClNO7S2
Molecular Weight445.89 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-((4-Chlorophenyl)sulfonyl)-6-(ethylsulfonyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylic acid CAS 866051-02-7 chemical structure

Description

CATO supplies 4-((4-Chlorophenyl)sulfonyl)-6-(ethylsulfonyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylic acid (CAS 866051-02-7), a certified reference material (molecular formula C17H16ClNO7S2, MW 445.89 g/mol) for analytical method development and quality control.

Structurally, 4-((4-Chlorophenyl)sulfonyl)-6-(ethylsulfonyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylic acid (C17H16ClNO7S2) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 445.89 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

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 FormulaC17H16ClNO7S2
Molecular Weight445.89 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)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentCl-containing
Nitrogen Atoms1
Sulfur Atoms2

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