2-(2-{[(2-chlorophenyl)sulfanyl]methyl}-1H-1,3-benzodiazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide CAS 339101-13-2
| CAS No. | 339101-13-2 |
| Molecular Formula | C23H17ClF3N3OS |
| Molecular Weight | 475.91 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-(2-{[(2-chlorophenyl)sulfanyl]methyl}-1H-1,3-benzodiazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
2-(2-{[(2-chlorophenyl)sulfanyl]methyl}-1H-1,3-benzodiazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CAS 339101-13-2), molecular formula C23H17ClF3N3OS and molecular weight 475.91 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C23H17ClF3N3OS, 2-(2-{[(2-chlorophenyl)sulfanyl]methyl}-1H-1,3-benzodiazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 475.91 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
Physical & Chemical Properties
| Molecular Formula | C23H17ClF3N3OS |
| Molecular Weight | 475.91 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related chlorophenyl Standards
- 2-(2-(((4-Chlorophenyl)thio)methyl)-1H-benzo[d]imidazol-1-yl)-N-(3-(trifluoromethyl)phenyl)acetamide (CAS 339100-98-0)
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Recommended Standards
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