Cyclopentyl 4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate CAS 5803-68-9
| CAS No. | 5803-68-9 |
| Molecular Formula | C28H28FNO3 |
| Molecular Weight | 445.53 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 445.53 g/mol gives Cyclopentyl 4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Cyclopentyl 4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 5803-68-9), molecular formula C28H28FNO3 and molecular weight 445.53 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C28H28FNO3, Cyclopentyl 4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate 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 445.53 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C28H28FNO3 |
| Molecular Weight | 445.53 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; 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.) | 1958 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Cyclopentyl Standards
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Recommended Standards
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- (±)-Climbazole-d4 (phenyl-d4) (CAS 1185117-79-6)
- (1R)-1-(5-bromo-3-fluoro(2-pyridyl))propylamine (CAS 1213842-66-0)
- (E)-3-(1-(phenylsulfonyl)-1H-indol-5-yl)acrylic acid (CAS 1372762-53-2)
- (1-(2,4-Difluorophenyl)-3-(4-(methylthio)phenyl)-1H-pyrazol-4-yl)methanol (CAS 618444-52-3)
- (5-Methyl-1,3,4-oxadiazol-2-yl)methanamine oxalate (CAS 1187931-57-2)
- N-(2-(Dimethylamino)ethyl)quinoline-8-carboxamide hydrochloride (CAS 1282105-40-1)
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