4-(4-Ethyl-phenyl)-1-mercapto-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS 885459-12-1

Purity 97%+In StockPharmaceutical Standards
CAS No.885459-12-1
Molecular FormulaC17H14N4OS
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(4-Ethyl-phenyl)-1-mercapto-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS 885459-12-1 chemical structure

Description

4-(4-Ethyl-phenyl)-1-mercapto-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CAS 885459-12-1), molecular formula C17H14N4OSC3H7NO and molecular weight 395.48 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 4-(4-Ethyl-phenyl)-1-mercapto-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one (C17H14N4OSC3H7NO) is characterized by a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC17H14N4OS C3H7NO
Molecular Weight395.48 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)13.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms5
Sulfur Atoms1

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