N-[3,5-Bis(pyridin-2-yl)-4H-1,2,4-triazol-4-yl]-3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzenesulfonyl]benzene-1-sulfonamide CAS 320418-52-8
| CAS No. | 320418-52-8 |
| Molecular Formula | C26H16F6N6O4S2 |
| Molecular Weight | 654.56 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-[3,5-Bis(pyridin-2-yl)-4H-1,2,4-triazol-4-yl]-3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzenesulfonyl]benzene-1-sulfonamide (CAS 320418-52-8), molecular formula C26H16F6N6O4S2 and molecular weight 654.56 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution, N-[3,5-Bis(pyridin-2-yl)-4H-1,2,4-triazol-4-yl]-3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzenesulfonyl]benzene-1-sulfonamide is typically pale yellow to yellow amorphous powder. Its solid-state physicochemical attributes — including a molecular weight of 654.56 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C26H16F6N6O4S2 |
| Molecular Weight | 654.56 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) | 19.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 6 |
| Sulfur Atoms | 2 |
Recommended Standards
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- Troxerutin Impurity 4 (CAS 23869-24-1)
- Isatin Bis-cresol (CAS 47465-97-4)
- 2-[(4-tert-Butylphenyl)methanesulfonyl]-4,5-diphenyl-1-(prop-2-yn-1-yl)-1H-imidazole (CAS 866017-35-8)
- Ethyl (2S,3R)-3-cyclopropylaziridine-2-carboxylate (CAS 2641825-05-8)
- 2,4-Dichloro-2'-(difluoromethoxy)-4'-fluoro-1,1'-biphenyl (CAS 1361726-08-0)
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- (S)-3-(Boc-amino)-4-phenylbutyric acid (CAS 51871-62-6)
- 2-(Difluoromethyl)-4-nitropyridine-6-carboxylic acid (CAS 1805313-58-9)
- 2-(Pyridin-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CAS 880361-82-0)
- Tau Peptide (298-312) trifluoroacetate salt (CAS 330456-47-8)
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