N,N-dimethyl-2-phenyl-4-((3-(trifluoromethyl)phenyl)thio)pyrimidine-5-carboxamide CAS 477859-53-3
| CAS No. | 477859-53-3 |
| Molecular Formula | C20H16F3N3OS |
| Molecular Weight | 403.42 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of N,N-dimethyl-2-phenyl-4-((3-(trifluoromethyl)phenyl)thio)pyrimidine-5-carboxamide is closely related to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
N,N-dimethyl-2-phenyl-4-((3-(trifluoromethyl)phenyl)thio)pyrimidine-5-carboxamide (CAS 477859-53-3), molecular formula C20H16F3N3OS and molecular weight 403.42 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, N,N-dimethyl-2-phenyl-4-((3-(trifluoromethyl)phenyl)thio)pyrimidine-5-carboxamide (C20H16F3N3OS) contains a steroid core, an amide group, sulfur-containing functionality, 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 403.42 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 | C20H16F3N3OS |
| Molecular Weight | 403.42 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Recommended Standards
- N-(4-((phenylsulfinyl)methyl)phenyl)-4-(trifluoromethyl)benzamide (CAS 956263-13-1)
- 4-(4-Hydroxyphenyl)-3-methyl-1-phenyl-1h-indeno[1,2-b]pyrazolo[4,3-e]pyridin-5-one (CAS 1016225-46-9)
- 4-(1-(2-Fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-1-(4-fluorophenyl)pyrrolidin-2-one (CAS 883645-50-9)
- 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(4-methoxyphenyl)acetic acid (CAS 1028530-29-1)
- 1,3-Thiazole-2-carbaldehyde oxime (CAS 13838-77-2)
- (E)-(3-Bromoprop-1-en-1-yl)cyclohexane (CAS 131719-68-1)
- 2,2'-Dihydroxydiphenylmethane (CAS 2467-02-9)
- 5-Fluoroquinoline-2-carboxylic acid (CAS 511234-64-3)
- 3-(2-Hydroxyethyl)-1H-indol-6-ol (CAS 682802-86-4)
- Olanzapine Impurity 13 (CAS CATO-C4X-117813)
- Moxifloxacin impurity 161 (CAS 55698-67-4)
- 2-{[(4-methylphenyl)methyl]sulfanyl}-5-[(piperidin-1-yl)methyl]-1,4-dihydropyrimidin-4-one (CAS 1221715-26-9)
- 6-(Methylsulfonyl)nicotinimidamide (CAS 859987-11-4)
- Semaglutide impurity 23 (CAS CATO-C4X-222623)
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