2-(2-(((3-Cyclohexyl-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)imino)methyl)phenoxy)acetic acid CAS 478253-65-5

Purity 97%+In StockPharmaceutical Standards
CAS No.478253-65-5
Molecular FormulaC17H20N4O3S
Molecular Weight360.43 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(2-(((3-Cyclohexyl-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)imino)methyl)phenoxy)acetic acid CAS 478253-65-5 chemical structure

Description

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.

CATO supplies 2-(2-(((3-Cyclohexyl-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)imino)methyl)phenoxy)acetic acid (CAS 478253-65-5), a certified reference material (molecular formula C17H20N4O3S, MW 360.43 g/mol) for analytical method development and quality control.

Based on its molecular formula C17H20N4O3S, 2-(2-(((3-Cyclohexyl-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)imino)methyl)phenoxy)acetic acid contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 360.43 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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.

Physical & Chemical Properties

Molecular FormulaC17H20N4O3S
Molecular Weight360.43 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)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Nitrogen Atoms4
Sulfur Atoms1

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