2-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-3-ethyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one CAS 314041-83-3
| CAS No. | 314041-83-3 |
| Molecular Formula | C19H17ClN2O2S2 |
| Molecular Weight | 404.93 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 404.93 g/mol gives 2-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-3-ethyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-3-ethyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one (CAS 314041-83-3) is a high-purity analytical reference standard with the molecular formula C19H17ClN2O2S2 and a molecular weight of 404.93 g/mol.
2-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-3-ethyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one (C19H17ClN2O2S2) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, 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 | C19H17ClN2O2S2 |
| Molecular Weight | 404.93 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Chlorophenyl Standards
- 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methoxy-4-[(4-methoxyphenyl)sulfanyl]pyrimidine (CAS 338423-12-4)
- 1-{2-[6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]thiophen-3-yl}-2,5-dimethyl-1H-pyrrole (CAS 866132-33-4)
- 6-(4-Chlorophenyl)-2-(3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophen-2-yl)pyrazolo[1,5-a]pyrimidine (CAS 865657-90-5)
- 2-[2-(2-Chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]-N-phenylacetamide (CAS 338957-25-8)
- 2-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]-N-phenylacetamide (CAS 338957-14-5)
- 3-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (CAS 439108-56-2)
- 3-((4-Chlorophenyl)thio)-N-methyl-2-phenylquinoline-4-carboxamide (CAS 400078-38-8)
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Recommended Standards
- 1,4-Diiodo-2-methoxy-5-nitrobenzene (CAS 55215-55-9)
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- 4-Amino-2-hydroxy-3,5-diiodobenzoic acid (CAS 74764-64-0)
- 3,5-Diiodo-4-pyridone-1-acetic Acid (CAS 101-29-1)
- 2-(1-Ethyl-1h-pyrrol-2-yl)ethan-1-amine (CAS 1354777-29-9)
- 5-(Furan-2-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1h-pyrazole-1-carbothioamide (CAS 394682-47-4)
- 2-Phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (CAS 55643-77-1)
- (R)-3-(4-chlorophenyl)-4-(1H-pyrrol-1-yl)butanoic acid (CAS 1173662-53-7)
- 3-chloro-4,5-dimethoxybenzaldehyde oxime (CAS 433237-01-5)
- 1-Amino-6-methylnaphthalene (CAS 116530-22-4)
- 6-Fluoro-7-methylquinolin-4(1H)-one (CAS 1375302-45-6)
- 1-(4-Cyclopropyl-1,2,3-thiadiazol-5-yl)methanamine (CAS 1493472-10-8)
- 22515-18-0 4,4-bis(fluoranyl)cyclohexan-1-one 4,4-difluoro-1-cyclohexanone A816238 (CAS 22515-18-0)
- Rac1 Inhibitor F56, control peptide (CAS 1315378-77-8)
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