1-[(4-Bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile CAS 1024251-40-8

Purity 97%+In StockPharmaceutical Standards
CAS No.1024251-40-8
Molecular FormulaC21H17BrN6O2
Molecular Weight465.30 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-[(4-Bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile CAS 1024251-40-8 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 1-[(4-Bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile.

1-[(4-Bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile (CAS 1024251-40-8), molecular formula C21H17BrN6O2 and molecular weight 465.30 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 1-[(4-Bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile (C21H17BrN6O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 465.30 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

Molecular FormulaC21H17BrN6O2
Molecular Weight465.30 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore in a cool place (≤25°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; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)16.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1988
Halogen ContentBr-containing
Nitrogen Atoms6

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