3-(4-Allyl-5-(methylthio)-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)pyridin-2(1H)-one CAS 400075-02-7

Purity 97%+In StockPharmaceutical Standards
CAS No.400075-02-7
Molecular FormulaC18H17ClN4OS
Molecular Weight372.87 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(4-Allyl-5-(methylthio)-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)pyridin-2(1H)-one CAS 400075-02-7 chemical structure

Description

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.

3-(4-Allyl-5-(methylthio)-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)pyridin-2(1H)-one (CAS 400075-02-7) is a high-purity analytical reference standard with the molecular formula C18H17ClN4OS and a molecular weight of 372.87 g/mol.

Owing to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution, 3-(4-Allyl-5-(methylthio)-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)pyridin-2(1H)-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 372.87 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

CATO manufactures 3-(4-Allyl-5-(methylthio)-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)pyridin-2(1H)-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 FormulaC18H17ClN4OS
Molecular Weight372.87 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl-containing
Nitrogen Atoms4
Sulfur Atoms1

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