N-(1-(4-ethyl-5-((4-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)-2-phenylethyl)-4-fluorobenzenesulfonamide CAS 338794-26-6
| CAS No. | 338794-26-6 |
| Molecular Formula | C26H27FN4O2S2 |
| Molecular Weight | 510.65 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
N-(1-(4-ethyl-5-((4-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)-2-phenylethyl)-4-fluorobenzenesulfonamide (CAS 338794-26-6) is a high-purity analytical reference standard with the molecular formula C26H27FN4O2S2 and a molecular weight of 510.65 g/mol.
Structurally, N-(1-(4-ethyl-5-((4-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)-2-phenylethyl)-4-fluorobenzenesulfonamide (C26H27FN4O2S2) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 510.65 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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-(4-ethyl-5-((4-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)-2-phenylethyl)-4-fluorobenzenesulfonamide 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 | C26H27FN4O2S2 |
| Molecular Weight | 510.65 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 2 |
Recommended Standards
- Dicyclohexyl[(1S)-1′,2-dimethoxy[1,2′-binaphthalen]-3′-yl]phosphine (CAS 1332879-47-6)
- N-(tert-Butyl)-3-((5-methyl-2-((3-(morpholinomethyl)phenyl)amino)pyrimidin-4-yl)amino)benzenesulfonamide (CAS 936091-56-4)
- Desoximetasone Impurity 4 (CAS CATO-C4X-16094)
- N-(tert-Butyl)-3-((5-methyl-2-((4-(morpholinomethyl)phenyl)-amino)pyrimidin-4-yl)amino)benzenesulfonamide (CAS 936091-15-5)
- 2-{[(tert-butoxy)carbonyl]amino}-2-(2-iodophenyl)acetic acid (CAS 1259965-28-0)
- 3-(2-Chloroacetyl)-1-(propan-2-yl)urea (CAS 7248-86-4)
- 2-Chloro-5-nitrobenzyl 4-methoxybenzoate (CAS 331460-06-1)
- 4-Chloro-5,6-dimethyl-2-(methylthio)pyrimidine (CAS 68498-57-7)
- Ethyl 5-(difluoromethoxy)-1H-indole-3-carboxylate (CAS 1352397-09-1)
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