4-(1-(2-Chlorophenyl)-1H-pyrazol-5-yl)-6-(phenylthio)benzene-1,3-diol CAS 876952-24-8

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4-(1-(2-Chlorophenyl)-1H-pyrazol-5-yl)-6-(phenylthio)benzene-1,3-diol.

4-(1-(2-Chlorophenyl)-1H-pyrazol-5-yl)-6-(phenylthio)benzene-1,3-diol (CAS 876952-24-8), molecular formula C21H15ClN2O2S and molecular weight 394.87 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 4-(1-(2-Chlorophenyl)-1H-pyrazol-5-yl)-6-(phenylthio)benzene-1,3-diol (C21H15ClN2O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 394.87 g/mol, it falls into the moderately-high-molecular-weight range. 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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