N-(4-(sec-Butyl)phenyl)-2-((3-(4-chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide CAS 585557-26-2
| CAS No. | 585557-26-2 |
| Molecular Formula | C27H26ClN3O2S2 |
| Molecular Weight | 524.10 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.
N-(4-(sec-Butyl)phenyl)-2-((3-(4-chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide (CAS 585557-26-2) is a high-purity analytical reference standard with the molecular formula C27H26ClN3O2S2 and a molecular weight of 524.10 g/mol.
N-(4-(sec-Butyl)phenyl)-2-((3-(4-chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide (C27H26ClN3O2S2) 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, the carboxyl group imparts weak acidity; 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.
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 | C27H26ClN3O2S2 |
| Molecular Weight | 524.10 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 | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Recommended Standards
- 5-((4-Chlorophenyl)thio)-4-(4-methoxyphenyl)-2-(4-(4-methoxyphenyl)piperazin-1-yl)thiazole (CAS 685107-96-4)
- 2,3-Diiodo-5-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine (CAS 1246088-65-2)
- 2-((3-(4-Chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-isopropylphenyl)acetamide (CAS 477313-44-3)
- Brexpiprazole Impurity 59 (CAS CATO-C4X-113159)
- 3-Chloro-1H-indazole-4-carbonitrile (CAS 1000341-39-8)
- 2-Bromo-5-hydroxybenzothiazole (CAS 1261493-22-4)
- Mesembrenone (CAS 468-54-2)
- 2-Chloro-4,6-dimethoxypyridin-3-amine (CAS 2450343-11-8)
- 6,7-Dihydroimidazo[1,5-a]pyridin-8(5H)-one (CAS 426219-51-4)
- 2-(4,5,6,7-Tetrahydro-1h-indazol-3-yl)aniline (CAS 199724-77-1)
- (4-(4-Chlorophenyl)-5-(2'-fluoro-4'-propyl-[1,1'-biphenyl]-4-yl)-1H-pyrazol-1-yl)(3-methoxyphenyl)methanone (CAS 477762-84-8)
- Calcium zirconium isopropoxide (CAS 334512-82-2)
- 3-Methyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine (CAS 19541-96-9)
- Semaglutide Impurity 163 (x TFA Salt) (CAS CATO-C4X-2226163)
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