2-((2-(4-Fluorophenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one CAS 477329-18-3
| CAS No. | 477329-18-3 |
| Molecular Formula | C25H21FN2O3S2 |
| Molecular Weight | 480.57 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-((2-(4-Fluorophenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 477329-18-3) is a high-purity analytical reference standard with the molecular formula C25H21FN2O3S2 and a molecular weight of 480.57 g/mol.
Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution, 2-((2-(4-Fluorophenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 480.57 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C25H21FN2O3S2 |
| Molecular Weight | 480.57 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 | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Fluorophenyl Standards
- Ethyl 2-(2-(4-fluorophenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 371928-95-9)
- 4-(4-Fluorophenyl)-4-oxobut-2-enoic acid (CAS 777-15-1)
- 4-[(2-Fluorophenyl)methyl]-N-[3-(4-pyridinyl)-1H-indazol-5-yl]-2-thiomorpholinecarboxamide 1,1-Dioxide (CAS 1361483-35-3)
- [(4-Fluorophenyl)methyl][2-(2-{[1-(4-methylbenzenesulfonyl)-1H-indol-4-yl]oxy}ethoxy)ethyl]amine (CAS 477862-67-2)
- 2-((4-(4-Fluorophenyl)-5-(3-(morpholinosulfonyl)phenyl)-4h-1,2,4-triazol-3-yl)thio)acetic acid (CAS 565192-17-8)
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Recommended Standards
- (R)-Phenyl 3-O-[(4-methoxyphenyl)methyl]-4,6-O-(phenylmethylene)-1-thio-alpha-D-mannopyranoside (CAS 168138-26-9)
- 2-(4-Bromophenyl)-6,7-dichloro-4-(4-chlorophenyl)phthalazin-1(2H)-one (CAS 478066-03-4)
- L-659989 (CAS 113787-28-3)
- 7-(bromomethyl)-3-(triphenylmethyl)-3H-imidazo[4,5-b]pyridine (CAS 618900-48-4)
- 2-Bromo-6,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole (CAS 1369135-69-2)
- 5-Amino-2',3',5',6'-tetrahydrospiro[indoline-3,4'-pyran]-2-one (CAS 1251021-08-5)
- 4-Hydroxy-3-methoxy-N-methylbenzamide (CAS 60515-31-3)
- 7-(1-Aminoethyl)-1H-indazole (CAS 1159511-33-7)
- Fluorescent Brightener 357 (CAS 41098-56-0)
- 3-(Methoxycarbonyl)-1-(propan-2-yl)-1h-pyrazole-5-carboxylic acid (CAS 617709-78-1)
- 2-AMINO-3,5-DIFLUOROCHLOROBENZENE 2-Chloro-4,6-difluoroaniline 36556-56-6 4,6-DIFLUORO-2-CHLOROANILINE 6-CHLORO-2,4-DIFLUOROANILINE AS04066 ATTERCOP-CHM AT123681 TIMTEC-BB SBB003922 (CAS 36556-56-6)
- Methyl 2-(4-bromo-3-methoxyphenyl)acetate (CAS 203805-73-6)
- 4-(3-iodo-1-isopropyl-1H-pyrazol-4-yl)pyrimidin-2-amine (CAS 1269440-54-1)
- Myristoyl Pentapeptide-4 (CAS 1392416-25-9)
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