1-[3,5-Bis(trifluoromethyl)phenyl]-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)urea CAS 1796922-71-8
| CAS No. | 1796922-71-8 |
| Molecular Formula | C25H18F6N4O2 |
| Molecular Weight | 520.43 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-[3,5-Bis(trifluoromethyl)phenyl]-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)urea (CAS 1796922-71-8), molecular formula C25H18F6N4O2 and molecular weight 520.43 g/mol, is a CATO reference standard with documented purity and traceability.
1-[3,5-Bis(trifluoromethyl)phenyl]-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)urea (C25H18F6N4O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
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 | C25H18F6N4O2 |
| Molecular Weight | 520.43 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1994 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
Related Bis Standards
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- 3'-[3-(Trifluoromethyl)phenyl]-1-{[4-(trifluoromethyl)phenyl]methyl}-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione (CAS 400081-73-4)
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Recommended Standards
- Ledipasvir Impurity 48 (CAS CATO-C4X-331348)
- 2-((4-(2-Chlorophenyl)-6-(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)-N-(4-methoxyphenyl)acetamide (CAS 337936-16-0)
- Aciclovir Impurity 35 (CAS CATO-C4X-101035)
- 3-Amino-N-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide (CAS 332376-52-0)
- (R)-1-(Naphthalen-1-yl)-N-((R)-1-phenylethyl)ethanamine (CAS 183316-91-8)
- 3-(2-Bromo-4-fluorophenyl)-2,2-dimethylpropanoic acid (CAS 1339519-78-6)
- S-Nitroso-DL-homocysteine (CAS 187878-81-5)
- N-(6-Methylpyridin-2-yl)-1,2,3-thiadiazole-4-carboxamide (CAS 478261-76-6)
- 5-Methoxy-4-oxo-N-phenyl-1,4-dihydropyridine-3-carboxamide (CAS 1087659-18-4)
- 2-Bromo-1-(2-methoxy-5-methylphenyl)propan-1-one (CAS 854685-08-8)
- 4'-Cyano-5-fluoro-[1,1'-biphenyl]-2-carboxylic acid (CAS 1261920-60-8)
- 6-Fluoro-3-isothiocyanato-1h-indazole (CAS 1192813-33-4)
- β-Casomorphin (1-4) amide (bovine) (CAS 74135-04-9)
- Semaglutide impurity 205 (CAS CATO-C4X-2226205)
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