2-((4-Allyl-5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-chloro-2-methylphenyl)acetamide CAS 332912-95-5
| CAS No. | 332912-95-5 |
| Molecular Formula | C20H18BrClN4OS |
| Molecular Weight | 477.81 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-((4-Allyl-5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-chloro-2-methylphenyl)acetamide (CAS 332912-95-5), molecular formula C20H18BrClN4OS and molecular weight 477.81 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-((4-Allyl-5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-chloro-2-methylphenyl)acetamide (C20H18BrClN4OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 477.81 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C20H18BrClN4OS |
| Molecular Weight | 477.81 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Allyl Standards
- 2-((4-Allyl-5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-2-methylphenyl)acetamide (CAS 332912-94-4)
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