2-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone CAS 477330-58-8

Purity 97%+In StockPharmaceutical Standards
CAS No.477330-58-8
Molecular FormulaC21H14BrFN4OS
Molecular Weight469.33 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone CAS 477330-58-8 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 2-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone.

2-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone (CAS 477330-58-8) is a high-purity analytical reference standard with the molecular formula C21H14BrFN4OS and a molecular weight of 469.33 g/mol.

Owing to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/bromine substitution, 2-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 469.33 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC21H14BrFN4OS
Molecular Weight469.33 g/mol
Purity97%+
StorageStore at room temperature, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)16.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF/Br-containing
Nitrogen Atoms4
Sulfur Atoms1

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