4-(4-Methoxyphenyl)-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile CAS 77821-73-9
| CAS No. | 77821-73-9 |
| Molecular Formula | C17H16N2O2 |
| Molecular Weight | 280.32 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
4-(4-Methoxyphenyl)-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 77821-73-9) is a high-purity analytical reference standard with the molecular formula C17H16N2O2 and a molecular weight of 280.32 g/mol.
The molecular framework of 4-(4-Methoxyphenyl)-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile (C17H16N2O2) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C17H16N2O2 |
| Molecular Weight | 280.32 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°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 |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1979 |
| Nitrogen Atoms | 2 |
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