2-((2-Chloro-6-fluorobenzyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one CAS 477331-43-4
| CAS No. | 477331-43-4 |
| Molecular Formula | C24H20ClFN2O2S2 |
| Molecular Weight | 487.01 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-((2-Chloro-6-fluorobenzyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 2-((2-Chloro-6-fluorobenzyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 477331-43-4), a certified reference material (molecular formula C24H20ClFN2O2S2, MW 487.01 g/mol) for analytical method development and quality control.
2-((2-Chloro-6-fluorobenzyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (C24H20ClFN2O2S2) 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, 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 | C24H20ClFN2O2S2 |
| Molecular Weight | 487.01 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Chloro Standards
- 6-Chloro-3-(2-methylpyridin-4-yl)-1-trityl-1H-pyrazolo[4,3-c]pyridine (CAS 1431719-89-9)
- 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[4-[(2R)-2-hydroxy-3-methoxypropyl]-3,5-dioxo-1,2,4-triazin-2-yl]benzamide (CAS 724424-43-5)
- 1-Chloro-4-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutoxy)-1,1,2,2,3,3,4,4-octafluorobutane (CAS 149697-40-5)
- 1-(2-{[4-(3-chloro-4-methoxyphenyl)-5-phenyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylic acid (CAS 731801-15-3)
- Methyl 2-(2-(4-chloro-2-methylphenoxy)acetamido)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate (CAS 504431-95-2)
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- 3-[4-Chloro-2-(trifluoromethyl)phenyl]-1-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)urea (CAS 1796882-68-2)
- 1-[2-Chloro-4-(trifluoromethyl)phenyl]-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)urea (CAS 1796904-73-8)
Recommended Standards
- (S)-tert-Butyl 3-((7-carbamoyl-2-(4-chlorophenyl)thieno[3,2-c]pyridin-4-yl)amino)piperidine-1-carboxylate (CAS 1261302-06-0)
- 2-((4-Chlorobenzyl)thio)-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)nicotinonitrile (CAS 337925-08-3)
- 5-(4-Benzhydrylpiperazin-1-yl)-4-chloro-2-(4-methoxyphenyl)pyridazin-3(2H)-one (CAS 477867-45-1)
- Methyl 2-(adamantane-1-carboxamido)-5-((2-chlorophenyl)carbamoyl)-4-methylthiophene-3-carboxylate (CAS 335409-83-1)
- 4-MEthoxyphenyl 3-o-benzyl-6-o-tert-butyldimethylsilyl-2-deoxy-2-phthalimido-beta-d-glucopyranoside (CAS 946075-95-2)
- 2-Chloro-N-ethyl-N-(2-methylbenzyl)ethan-1-amine (CAS 78686-02-9)
- (S)-1-(2,4-Dibromophenyl)ethan-1-ol (CAS 1344931-87-8)
- 4-(1,1-Diphenylbut-3-yn-1-yl)-4H-1,2,4-triazole (CAS 88557-70-4)
- 1-Bromo-2-chloro-4-ethoxy-5-methylbenzene (CAS 2379322-07-1)
- Promethazine Impurity 1 (CAS 1220-99-1)
- 4-Amino-1-methylpyrrolidin-3-ol (CAS 1027193-30-1)
- 1-(2-Chloro-5-nitrophenyl)-N,N-dimethylmethanamine (CAS 697305-62-7)
- {[4-(3-Chlorophenyl)-1,3-thiazol-2-yl]-methyl}amine dihydrochloride (CAS 1332530-46-7)
- Semaglutide Impurity 82 (CAS CATO-C4X-222682)
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