N-(4-Fluoro-3-(trifluoromethyl)phenyl)-5-oxo-1,4-thiazepane-3-carboxamide CAS 1396631-75-6

Description

Compared with other compounds in its class, the molecular weight of 336.31 g/mol gives N-(4-Fluoro-3-(trifluoromethyl)phenyl)-5-oxo-1,4-thiazepane-3-carboxamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

N-(4-Fluoro-3-(trifluoromethyl)phenyl)-5-oxo-1,4-thiazepane-3-carboxamide (CAS 1396631-75-6) is a high-purity analytical reference standard with the molecular formula C13H12F4N2O2S and a molecular weight of 336.31 g/mol.

Structurally, N-(4-Fluoro-3-(trifluoromethyl)phenyl)-5-oxo-1,4-thiazepane-3-carboxamide (C13H12F4N2O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 336.31 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

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