5-(4-(Tert-butyl)benzyl)-7-chloro-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one CAS 341968-13-6

Purity 97%+In StockPharmaceutical Standards
CAS No.341968-13-6
Molecular FormulaC20H22ClNOS
Molecular Weight359.91 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-(4-(Tert-butyl)benzyl)-7-chloro-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one CAS 341968-13-6 chemical structure

Description

Structurally, 5-(4-(Tert-butyl)benzyl)-7-chloro-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one (C20H22ClNOS) contains a steroid core, an amide group, sulfur-containing functionality, 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 359.91 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.

5-(4-(Tert-butyl)benzyl)-7-chloro-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one (CAS 341968-13-6), molecular formula C20H22ClNOS and molecular weight 359.91 g/mol, is a CATO reference standard with documented purity and traceability.

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.

CATO manufactures 5-(4-(Tert-butyl)benzyl)-7-chloro-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC20H22ClNOS
Molecular Weight359.91 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl-containing
Nitrogen Atoms1
Sulfur Atoms1

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