5-{1-[(3,4-dichlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-2-yl}-1,2-dihydropyridin-2-one CAS 400077-30-7
| CAS No. | 400077-30-7 |
| Molecular Formula | C21H17Cl2N3O |
| Molecular Weight | 398.29 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.
5-{1-[(3,4-dichlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-2-yl}-1,2-dihydropyridin-2-one (CAS 400077-30-7) is a high-purity analytical reference standard with the molecular formula C21H17Cl2N3O and a molecular weight of 398.29 g/mol.
The molecular framework of 5-{1-[(3,4-dichlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-2-yl}-1,2-dihydropyridin-2-one (C21H17Cl2N3O) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. 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 high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
As a certified reference material (CRM), 5-{1-[(3,4-dichlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-2-yl}-1,2-dihydropyridin-2-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C21H17Cl2N3O |
| Molecular Weight | 398.29 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
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