3-(4-Allyl-5-((2-chloro-6-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)pyridin-2(1H)-one CAS 400075-05-0

Description

The occurrence of 3-(4-Allyl-5-((2-chloro-6-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)pyridin-2(1H)-one is closely related to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

3-(4-Allyl-5-((2-chloro-6-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)pyridin-2(1H)-one (CAS 400075-05-0), molecular formula C24H19Cl2FN4OS and molecular weight 501.40 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 3-(4-Allyl-5-((2-chloro-6-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)pyridin-2(1H)-one (C24H19Cl2FN4OS) is characterized by a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. 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.

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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