| CAS No. | 578000-53-0 |
| Molecular Formula | C21H13BrCl2N4OS |
| Molecular Weight | 520.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
The molecular framework of 2-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(3,4-dichlorophenyl)ethanone (C21H13BrCl2N4OS) is characterized by a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine/bromine substitution. 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).
2-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(3,4-dichlorophenyl)ethanone (CAS 578000-53-0) is a high-purity analytical reference standard with the molecular formula C21H13BrCl2N4OS and a molecular weight of 520.23 g/mol.
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 | C21H13BrCl2N4OS |
| Molecular Weight | 520.23 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |