3-((4-Fluorophenyl)thio)-6-methoxy-2-(4-methoxyphenyl)benzo[b]thiophene 1-oxide CAS 477762-72-4
| CAS No. | 477762-72-4 |
| Molecular Formula | C22H17FO3S2 |
| Molecular Weight | 412.50 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-((4-Fluorophenyl)thio)-6-methoxy-2-(4-methoxyphenyl)benzo[b]thiophene 1-oxide is closely related to a steroid core, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-((4-Fluorophenyl)thio)-6-methoxy-2-(4-methoxyphenyl)benzo[b]thiophene 1-oxide (CAS 477762-72-4), molecular formula C22H17FO3S2 and molecular weight 412.50 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-((4-Fluorophenyl)thio)-6-methoxy-2-(4-methoxyphenyl)benzo[b]thiophene 1-oxide (C22H17FO3S2) is characterized by a steroid core, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
CATO manufactures 3-((4-Fluorophenyl)thio)-6-methoxy-2-(4-methoxyphenyl)benzo[b]thiophene 1-oxide under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C22H17FO3S2 |
| Molecular Weight | 412.50 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Sulfur Atoms | 2 |
Related Fluorophenyl Standards
- 4-(4-(4-Fluorophenyl)-5-(2-(propylthio)pyrimidin-4-yl)-1h-imidazol-1-yl)cyclohexanol (CAS 1455432-05-9)
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- N-((1-((4-Fluorophenyl)carbamoyl)piperidin-4-yl)methyl)-5-(furan-2-yl)isoxazole-3-carboxamide (CAS 1235056-38-8)
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- N-(2-Fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepin-2-yl]acetamide (CAS 1775565-83-7)
- N-((1-((4-Fluorophenyl)carbamoyl)piperidin-4-yl)methyl)benzo[c][1,2,5]thiadiazole-5-carboxamide (CAS 1234937-24-6)
Recommended Standards
- 2-(Cyclohexylamino)-5-nitro-N-(pentylcarbamoyl)benzenesulfonamide (CAS 284464-77-3)
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- Methyl 3-{2-[(hexylcarbamoyl)carbonyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate (CAS 477872-73-4)
- N-Methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amine (CAS 132451-29-7)
- 3-Bromo-4-((3-fluorobenzyl)oxy)benzohydrazide (CAS 1706456-97-4)
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