N-(1-(5-((4-(tert-butyl)benzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)-2-phenylethyl)-4-fluorobenzamide CAS 478066-93-2
| CAS No. | 478066-93-2 |
| Molecular Formula | C34H33FN4OS |
| Molecular Weight | 564.72 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 564.72 g/mol gives N-(1-(5-((4-(tert-butyl)benzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)-2-phenylethyl)-4-fluorobenzamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
N-(1-(5-((4-(tert-butyl)benzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)-2-phenylethyl)-4-fluorobenzamide (CAS 478066-93-2) is a high-purity analytical reference standard with the molecular formula C34H33FN4OS and a molecular weight of 564.72 g/mol.
Based on its molecular formula C34H33FN4OS, N-(1-(5-((4-(tert-butyl)benzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)-2-phenylethyl)-4-fluorobenzamide contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 564.72 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).
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.
As a certified reference material (CRM), N-(1-(5-((4-(tert-butyl)benzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)-2-phenylethyl)-4-fluorobenzamide meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C34H33FN4OS |
| Molecular Weight | 564.72 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) | 20.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Recommended Standards
- KU 59403 (CAS 845932-30-1)
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