N-(4-Chloro-3-(trifluoromethyl)phenyl)-2-((3-ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamide CAS 618427-57-9
| CAS No. | 618427-57-9 |
| Molecular Formula | C19H17ClF3N3O2S2 |
| Molecular Weight | 475.94 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
N-(4-Chloro-3-(trifluoromethyl)phenyl)-2-((3-ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamide (CAS 618427-57-9), molecular formula C19H17ClF3N3O2S2 and molecular weight 475.94 g/mol, is a CATO reference standard with documented purity and traceability.
N-(4-Chloro-3-(trifluoromethyl)phenyl)-2-((3-ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamide (C19H17ClF3N3O2S2) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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 | C19H17ClF3N3O2S2 |
| Molecular Weight | 475.94 g/mol |
| 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related N Standards
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