5-Acetyl-1-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)-3-(4-fluorobenzyl)pyrimidine-2,4(1H,3H)-dione CAS 338399-39-6
| CAS No. | 338399-39-6 |
| Molecular Formula | C20H15ClF4N4O3 |
| Molecular Weight | 470.80 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 470.80 g/mol gives 5-Acetyl-1-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)-3-(4-fluorobenzyl)pyrimidine-2,4(1H,3H)-dione distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
5-Acetyl-1-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)-3-(4-fluorobenzyl)pyrimidine-2,4(1H,3H)-dione (CAS 338399-39-6), molecular formula C20H15ClF4N4O3 and molecular weight 470.80 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C20H15ClF4N4O3, 5-Acetyl-1-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)-3-(4-fluorobenzyl)pyrimidine-2,4(1H,3H)-dione contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 470.80 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C20H15ClF4N4O3 |
| Molecular Weight | 470.80 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.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
Related Acetyl Standards
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Recommended Standards
- 4,6-Bis(2-ethylhexyl)benzo[1,2-b:6,5-b':3,4-c'']trithiophene (CAS 2248149-78-0)
- 3-((4-Bromobenzyl)thio)-5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazole (CAS 477333-06-5)
- 1,2-Bis(2,4,6-triisopropylphenyl)disulfane (CAS 20875-34-7)
- Cholesteryl n-valerate (CAS 7726-03-6)
- 2,6-Diethylbenzonitrile (CAS 6575-14-0)
- 5-Fluoro-2-(pyrrolidin-3-yl)pyridine (CAS 1196156-31-6)
- 1,2-Bis(1h-benzo[d]imidazol-2-yl)ethane-1,2-diol (CAS 3314-32-7)
- 4-(3-Fluoro-5-nitrophenyl)-2,6-dimethylmorpholine (CAS 1502603-37-3)
- 2,3,4,6-Tetrachlorophenol (CAS 58-90-2)
- 6-Fluoro-2-methyl-1,8-naphthyridine (CAS 1222533-71-2)
- Ethyl 4-bromo-6-fluoro-8-methylquinoline-3-carboxylate (CAS 1378259-50-7)
- L-Lactic Acid (CAS 79-33-4)
- 4-Bromo-2-methoxy-6-methylbenzonitrile (CAS 877149-05-8)
- 30003-72-6 insulin chain b oxidized (CAS 30003-72-6)
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