2-({4-[4-nitro-3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-3,4-dihydroquinazolin-4-one CAS 930060-26-7
| CAS No. | 930060-26-7 |
| Molecular Formula | C20H18F3N5O3 |
| Molecular Weight | 433.38 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-({4-[4-nitro-3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-3,4-dihydroquinazolin-4-one (CAS 930060-26-7), molecular formula C20H18F3N5O3 and molecular weight 433.38 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-({4-[4-nitro-3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-3,4-dihydroquinazolin-4-one (C20H18F3N5O3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 433.38 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C20H18F3N5O3 |
| Molecular Weight | 433.38 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 5 |
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Recommended Standards
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- 5-Bromo-4-fluoro-1H-imidazole (CAS 1823245-63-1)
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- Ethyl cyclopropanesulfonate (CAS 2095432-70-3)
- (3-Aminoazetidin-1-yl)(isoquinolin-1-yl)methanone (CAS 1410511-07-7)
- 3-((3,5-bis(trifluoromethyl)phenyl)amino)-4-(((1S,2S)-2-(dibenzylamino)cyclohexyl)amino)cyclobut-3-ene-1,2-dione (CAS 1623099-31-9)
- 5-Bromo-6-methoxyquinoline (CAS 36023-01-5)
- 1-(Azidomethyl)-2,3,4,5,6-pentafluorobenzene (CAS 473925-65-4)
- 2-(Trifluoromethyl)thiazole-5-carbaldehyde (CAS 903130-38-1)
- 2-cyano-3-(1H-pyrrolo[2,3-b]pyridin-3-ly)-2-Propenamide (CAS 157561-90-5)
- Influenza PR8 Hemagglutinin Peptide (110-119) (H-6312.0005) (CAS 132031-50-6)
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