Methyl 3-[(4-imino-6,7-dimethoxy-3-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]propanoate CAS 383146-98-3
| CAS No. | 383146-98-3 |
| Molecular Formula | C22H22F3N3O4S |
| Molecular Weight | 481.49 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 3-[(4-imino-6,7-dimethoxy-3-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]propanoate (CAS 383146-98-3), molecular formula C22H22F3N3O4S and molecular weight 481.49 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Methyl 3-[(4-imino-6,7-dimethoxy-3-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]propanoate (C22H22F3N3O4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 481.49 g/mol, it falls into the moderately-high-molecular-weight range. 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).
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 | C22H22F3N3O4S |
| Molecular Weight | 481.49 g/mol |
| 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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