N-(2,6-dimethylphenyl)-3-((3-(trifluoromethyl)benzyl)thio)thiophene-2-carboxamide CAS 250714-50-2
| CAS No. | 250714-50-2 |
| Molecular Formula | C21H18F3NOS2 |
| Molecular Weight | 421.50 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.
N-(2,6-dimethylphenyl)-3-((3-(trifluoromethyl)benzyl)thio)thiophene-2-carboxamide (CAS 250714-50-2), molecular formula C21H18F3NOS2 and molecular weight 421.50 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, N-(2,6-dimethylphenyl)-3-((3-(trifluoromethyl)benzyl)thio)thiophene-2-carboxamide (C21H18F3NOS2) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 421.50 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C21H18F3NOS2 |
| Molecular Weight | 421.50 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 2 |
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