2-((3-(4-Chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(naphthalen-1-yl)acetamide CAS 586994-97-0
| CAS No. | 586994-97-0 |
| Molecular Formula | C27H20ClN3O2S2 |
| Molecular Weight | 518.05 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-((3-(4-Chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(naphthalen-1-yl)acetamide.
2-((3-(4-Chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(naphthalen-1-yl)acetamide (CAS 586994-97-0) is a high-purity analytical reference standard with the molecular formula C27H20ClN3O2S2 and a molecular weight of 518.05 g/mol.
Structurally, 2-((3-(4-Chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(naphthalen-1-yl)acetamide (C27H20ClN3O2S2) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 19.0, corresponding to approximately 19 ring(s) or double-bond equivalent(s). With a molecular weight of 518.05 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 | C27H20ClN3O2S2 |
| Molecular Weight | 518.05 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) | 19.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related Chlorophenyl Standards
- 2-((5-(((4-Chlorophenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide (CAS 332930-58-2)
- Ethyl 5-({[5-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}methyl)-4,5-dihydro-1,2-oxazol-3-yl]formamido}methyl)-4,5-dihydro-1,2-oxazole-3-carboxylate (CAS 338399-16-9)
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- 4-(2-(2-(4-Chlorophenyl)-1H-indol-3-yl)hydrazinyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (CAS 88152-04-9)
Recommended Standards
- 3-Iodo-1H,1H,2H,2H,3H,4H,4H-perfluorodecan-1-ol (CAS 16083-68-4)
- Pyronaridine (CAS 74847-35-1)
- 6-(2-Chloro-4-(6-methylpyrazin-2-yl)phenyl)-8-ethyl-2-((2-(1-methylpiperidin-4-yl)ethyl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one (CAS 1432908-05-8)
- Pyronaridine Impurity 5 (CAS CATO-C4X-29785)
- N-(4-Fluorobenzyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS 1259285-59-0)
- 5-Chloro-1-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid (CAS 2090400-40-9)
- 1-methyl-4-(4-piperidylsulfonyl)piperidine (CAS 2091641-18-6)
- 5-Aminofuran-2-carboxylic acid (CAS 341007-99-6)
- 3-(4-Bromobenzoyl)phenyl acetate (CAS 890099-61-3)
- 1H-Isoindole (CAS 270-69-9)
- 2-(Chloromethyl)-3-cyano-5-(difluoromethyl)pyridine-4-acetonitrile (CAS 1806013-00-2)
- 4-Nitropyridine-2-sulfonyl fluoride (CAS 2090446-25-4)
- 6-(Methylsulfonyl)-1H-indol-1-ol (CAS 170492-47-4)
- [α-Glu](Sidechain trans-position)-Liraglutide (CAS CATO-C4X-199240)
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