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
| CAS No. | 477313-44-3 |
| Molecular Formula | C27H26ClN3O2S2 |
| Molecular Weight | 524.10 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution, 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 is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 524.10 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
CATO supplies 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), a certified reference material (molecular formula C27H26ClN3O2S2, MW 524.10 g/mol) for analytical method development and quality control.
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 | 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.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
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Recommended Standards
- Loratadine Impurity 58 (CAS CATO-C4X-142658)
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- Tofacitinib Impurity 213 (CAS CATO-C4X-1079213)
- 3-Butoxycyclobutane-1-carboxylic acid (CAS 1708267-94-0)
- (R)-2-(4-(Trifluoromethyl)benzyl)pyrrolidine-2-carboxylic acid hydrochloride (CAS 1049728-08-6)
- 7-Chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione (CAS 6915-11-3)
- 4-((4-Ethoxyphenyl)amino)-4-oxo-2-(piperidin-1-yl)butanoic acid (CAS 865612-86-8)
- 4-(Dimethylamino)-2-((4-methoxyphenyl)amino)nicotinonitrile (CAS 338773-47-0)
- 3-(Cyclopentyloxy)-4-methoxyphenylacetonitrile (CAS 141333-36-0)
- Ammonium sebacate (CAS 19402-63-2)
- Delafloxacin (CAS 189279-58-1)
- N-(3,4-dichlorophenyl)-2H-chromene-3-carboxamide (CAS 338761-00-5)
- Insulin Lispro (CAS 133107-64-9)
Why CATO?
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