3-(2-Chloro-6-fluorophenyl)-11-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one CAS 338414-97-4
| CAS No. | 338414-97-4 |
| Molecular Formula | C26H22ClFN2O2 |
| Molecular Weight | 448.92 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C26H22ClFN2O2, 3-(2-Chloro-6-fluorophenyl)-11-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 448.92 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.
3-(2-Chloro-6-fluorophenyl)-11-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 338414-97-4), molecular formula C26H22ClFN2O2 and molecular weight 448.92 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C26H22ClFN2O2 |
| Molecular Weight | 448.92 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.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
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- Ticagrelor Impurity 18 (CAS CATO-C4X-109318)
- (S)-2-((tert-Butoxycarbonyl)amino)-3-(4-((((2-chlorobenzyl)oxy)carbonyl)amino)phenyl)propanoic acid (CAS 198475-65-9)
- 4-hydrazinylpiperidine dihydrochloride (CAS 380226-98-2)
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- N-((1,5-Dimethyl-1H-pyrazol-4-yl)methyl)-2-methylpropan-1-amine hydrochloride (CAS 1856060-22-4)
- Salbutamol Impurity 128 (CAS CATO-C4X-1176128)
- 1,1,4A,5,6-pentamethyldecahydronaphthalene (CAS 5951-58-6)
- (S)-3-((tert-Butoxycarbonyl)amino)-3-(2,4-dichlorophenyl)propanoic acid (CAS 499995-81-2)
- 2-[3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl]-3-nitropyridine (CAS 258518-68-2)
- DIETHYL 3-ETHYLCYCLOBUTANE-1,1-DICARBOXYLATE (CAS 66016-02-2)
- 6-(Ethylsulfanyl)pyridine-3-carboxylic acid (CAS 887578-22-5)
- β-Asp9-Tirzepatide (CAS CATO-CPTD788931)
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