N-(2-Cyano-3-methylbutan-2-yl)-2-((5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamide CAS 764689-91-0
| CAS No. | 764689-91-0 |
| Molecular Formula | C17H20FN5OS |
| Molecular Weight | 361.44 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.
N-(2-Cyano-3-methylbutan-2-yl)-2-((5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 764689-91-0), molecular formula C17H20FN5OS and molecular weight 361.44 g/mol, is a CATO reference standard with documented purity and traceability.
N-(2-Cyano-3-methylbutan-2-yl)-2-((5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamide (C17H20FN5OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C17H20FN5OS |
| Molecular Weight | 361.44 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.) | 1986 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 3-(Methylamino)benzoic acid hydrochloride (CAS 1194804-60-8)
- 1-(5-Bromo-2,3-difluorophenyl)ethanone (CAS 1600511-63-4)
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- (6-IOdo-pyridin-3-yl)-dimethyl-amine (CAS 1935039-87-4)
- Ethyl 8-(2,5-dimethoxyphenyl)-8-oxooctanoate (CAS 898758-38-8)
- 2-(4-Isobutylphenyl)quinoline-4-carbohydrazide (CAS 588680-37-9)
- 7-(Trifluoromethyl)-2,3-dihydro-1h-inden-1-one hydrochloride (CAS 2055840-46-3)
- Ethyl 1-(cyanomethyl)-1H-pyrrole-2-carboxylate (CAS 1514406-61-1)
- Tirzepatide Impurity 59 (CAS CATO-C4X-324059)
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