2-((5-(2-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-cyano-3-methylbutan-2-yl)acetamide CAS 851455-47-5
| CAS No. | 851455-47-5 |
| Molecular Formula | C17H20ClN5OS |
| Molecular Weight | 377.89 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
2-((5-(2-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-cyano-3-methylbutan-2-yl)acetamide (CAS 851455-47-5), molecular formula C17H20ClN5OS and molecular weight 377.89 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C17H20ClN5OS, 2-((5-(2-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-cyano-3-methylbutan-2-yl)acetamide 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 377.89 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 Formula | C17H20ClN5OS |
| Molecular Weight | 377.89 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Related Chlorophenyl Standards
- 1-({4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}methyl)-4-methylpiperazine (CAS 477869-43-5)
- 2-((5-(4-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-cyano-3-methylbutan-2-yl)acetamide (CAS 763093-27-2)
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Recommended Standards
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- 1365963-08-1 Methyl 2-[(2-chloropropanoyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate MFCD22056596 (CAS 1365963-08-1)
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