| CAS No. | 478063-63-7 |
| Molecular Formula | C21H18ClN5OS |
| Molecular Weight | 423.92 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
3-(5-((4-Chlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-yl)-1-phenylpyridazin-4(1H)-one (CAS 478063-63-7), molecular formula C21H18ClN5OS and molecular weight 423.92 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C21H18ClN5OS, 3-(5-((4-Chlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-yl)-1-phenylpyridazin-4(1H)-one contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 423.92 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
| Molecular Formula | C21H18ClN5OS |
| Molecular Weight | 423.92 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |