2-{[5-(4-chloro-2-methylphenoxymethyl)-4-cyclohexyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid CAS 851468-07-0

Description

2-{[5-(4-chloro-2-methylphenoxymethyl)-4-cyclohexyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS 851468-07-0) is a high-purity analytical reference standard with the molecular formula C18H22ClN3O3S and a molecular weight of 395.90 g/mol.

Based on its molecular formula C18H22ClN3O3S, 2-{[5-(4-chloro-2-methylphenoxymethyl)-4-cyclohexyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 395.90 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.

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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