| CAS No. | 885459-12-1 |
| Molecular Formula | C17H14N4OS |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
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.
| Molecular Formula | C17H14N4OS C3H7NO |
| Molecular Weight | 395.48 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |