2-((3-(4-Chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2,4-difluorophenyl)acetamide CAS 578700-23-9
| CAS No. | 578700-23-9 |
| Molecular Formula | C23H16ClF2N3O2S2 |
| Molecular Weight | 503.97 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
2-((3-(4-Chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2,4-difluorophenyl)acetamide (CAS 578700-23-9) is a high-purity analytical reference standard with the molecular formula C23H16ClF2N3O2S2 and a molecular weight of 503.97 g/mol.
2-((3-(4-Chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2,4-difluorophenyl)acetamide (C23H16ClF2N3O2S2) 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.
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 | C23H16ClF2N3O2S2 |
| Molecular Weight | 503.97 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related Chlorophenyl Standards
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- (Z)-{2-[(4-chlorophenyl)sulfanyl]-1-{2,7-dimethylimidazo[1,2-a]pyridin-3-yl}ethylidene}({[4-(trifluoromethyl)phenyl]methoxy})amine (CAS 383148-27-4)
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Recommended Standards
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- 2-(tert-Butyl)-6-fluoro-1H-indole (CAS 1262879-47-9)
- 1,4-Dihydro-2,6-naphthyridin-3(2H)-one (CAS 37125-44-3)
- Benzyl (2S,4R)-4-cyclopropoxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate (CAS 1639480-50-4)
- 1-(4-Bromo-3-fluoro-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrol-2-yl)ethan-1-one (CAS 2916880-54-9)
- 3'-Cyano-3-methyl-[1,1'-biphenyl]-2-carboxylic acid (CAS 1261945-22-5)
- methyl 1-(iodomethyl)-3,3-dimethyl-2-oxabicyclo[2.2.2]octane-4-carboxylate (CAS 2763776-41-4)
- Semaglutide impurity 58 (CAS CATO-C4X-222658)
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