4-{[(4-chlorophenyl)methyl]sulfanyl}-5-methoxy-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidine CAS 478042-71-6
| CAS No. | 478042-71-6 |
| Molecular Formula | C20H16ClF3N2OS2 |
| Molecular Weight | 456.93 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.
CATO supplies 4-{[(4-chlorophenyl)methyl]sulfanyl}-5-methoxy-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidine (CAS 478042-71-6), a certified reference material (molecular formula C20H16ClF3N2OS2, MW 456.93 g/mol) for analytical method development and quality control.
4-{[(4-chlorophenyl)methyl]sulfanyl}-5-methoxy-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidine (C20H16ClF3N2OS2) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
Physical & Chemical Properties
| Molecular Formula | C20H16ClF3N2OS2 |
| Molecular Weight | 456.93 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
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