N-(3,5-Bis(trifluoromethyl)phenyl)-2-(4-oxoquinazolin-3(4H)-yl)acetamide CAS 853318-91-9
| CAS No. | 853318-91-9 |
| Molecular Formula | C18H11F6N3O2 |
| Molecular Weight | 415.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
N-(3,5-Bis(trifluoromethyl)phenyl)-2-(4-oxoquinazolin-3(4H)-yl)acetamide (CAS 853318-91-9) is a high-purity analytical reference standard with the molecular formula C18H11F6N3O2 and a molecular weight of 415.29 g/mol.
The molecular framework of N-(3,5-Bis(trifluoromethyl)phenyl)-2-(4-oxoquinazolin-3(4H)-yl)acetamide (C18H11F6N3O2) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C18H11F6N3O2 |
| Molecular Weight | 415.29 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
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- Ethyl 2-[({1-[(2,6-dichlorophenyl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}carbamoyl)sulfanyl]acetate (CAS 400084-83-5)
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