N-((4-(2-Methoxyphenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide CAS 391886-28-5

Purity 97%+In StockPharmaceutical Standards
CAS No.391886-28-5
Molecular FormulaC17H16N4O2S
Molecular Weight340.40 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

N-((4-(2-Methoxyphenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide CAS 391886-28-5 chemical structure

Description

CATO supplies N-((4-(2-Methoxyphenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide (CAS 391886-28-5), a certified reference material (molecular formula C17H16N4O2S, MW 340.40 g/mol) for analytical method development and quality control.

Structurally, N-((4-(2-Methoxyphenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide (C17H16N4O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 340.40 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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.

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 FormulaC17H16N4O2S
Molecular Weight340.40 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Nitrogen Atoms4
Sulfur Atoms1

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