2-((2-Fluorobenzyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one CAS 477331-62-7
| CAS No. | 477331-62-7 |
| Molecular Formula | C24H21FN2O2S2 |
| Molecular Weight | 452.56 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 2-((2-Fluorobenzyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (C24H21FN2O2S2) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 452.56 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
2-((2-Fluorobenzyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 477331-62-7) is a high-purity analytical reference standard with the molecular formula C24H21FN2O2S2 and a molecular weight of 452.56 g/mol.
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 | C24H21FN2O2S2 |
| Molecular Weight | 452.56 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-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Fluorobenzyl Standards
- 2-((3-Fluorobenzyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 477330-56-6)
- 2-((4-Fluorobenzyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 477332-85-7)
- 4-(5-((4-Fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)-2-(3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)thiazole (CAS 955976-78-0)
- 3-(2-((4-Fluorobenzyl)oxy)phenyl)-1-(mesitylsulfonyl)-1H-pyrazole (CAS 956501-72-7)
- 5-(4-Fluorobenzyl)-N-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-amine (CAS 1077629-23-2)
- (E)-2-(4-((4-fluorobenzyl)oxy)-3-methoxyphenyl)-N-(3-methoxybenzyl)ethene-1-sulfonamide (CAS 339104-63-1)
- 2-((2-Fluorobenzyl)thio)-6,7-dimethoxy-3-octylquinazolin-4(3H)-imine (CAS 860786-54-5)
- 4-Ethyl-3-((4-fluorobenzyl)thio)-5-(1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-4H-1,2,4-triazole (CAS 956741-90-5)
Recommended Standards
- (4AR,6S,7R,8R,8aR)-6-(ethylthio)-8-(naphthalen-2-ylmethoxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-7-ol (CAS 352008-09-4)
- (2R,3S,4S,5R,6S)-4,5-Bis(benzyloxy)-2-(hydroxymethyl)-6-(phenylthio)tetrahydro-2H-pyran-3-ol (CAS 231623-55-5)
- (2R,3R,4S,5R,6S)-4,5-Bis(benzyloxy)-2-(hydroxymethyl)-6-(phenylthio)tetrahydro-2H-pyran-3-ol (CAS 129081-01-2)
- Apremilast Impurity 82 (CAS CATO-C4X-100982)
- (2S)-2-(bromomethyl)oxolane (CAS 57203-03-9)
- 2-(2-Amino-4-methanesulfonylphenoxy)ethan-1-ol (CAS 1153121-95-9)
- 3-Carboxy-1,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-1-ium methyl sulfate (CAS 33484-47-8)
- 1-(6-Chloropyridazin-3-yl)-N-((hexahydro-2H-isoxazolo[2,3-a]pyridin-2-yl)methyl)piperidine-4-carboxamide (CAS 338965-04-1)
- Licofelone-d6 (CAS 1178549-81-9)
- 5-(4-Methoxyphenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic acid (CAS 724744-85-8)
- 1-(Tert-butyl)-3-(2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea (CAS 2246564-39-4)
- Ethyl({5-[4-(trifluoromethyl)phenyl]furan-2-yl}methyl)amine (CAS 1153421-91-0)
- Allyl 2-ethyl-7-methyl-3-oxo-5-phenyl-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 617694-06-1)
- Semaglutide impurity 196 (CAS CATO-C4X-2226196)
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