4-(3,5-Bis(trifluoromethyl)benzyl)-6-(2-fluorophenyl)-4,5-dihydropyrido[3,2-f][1,4]oxazepin-3(2H)-one CAS 877052-79-4
| CAS No. | 877052-79-4 |
| Molecular Formula | C23H15F7N2O2 |
| Molecular Weight | 484.37 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-(3,5-Bis(trifluoromethyl)benzyl)-6-(2-fluorophenyl)-4,5-dihydropyrido[3,2-f][1,4]oxazepin-3(2H)-one (CAS 877052-79-4), molecular formula C23H15F7N2O2 and molecular weight 484.37 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C23H15F7N2O2, 4-(3,5-Bis(trifluoromethyl)benzyl)-6-(2-fluorophenyl)-4,5-dihydropyrido[3,2-f][1,4]oxazepin-3(2H)-one contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 484.37 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C23H15F7N2O2 |
| Molecular Weight | 484.37 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
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