Ethyl 5-cyclopropyl-2-(4-fluorophenyl)-6-(N-(methylsulfonyl)methylsulfonamido)benzofuran-3-carboxylate CAS 1185313-40-9
| CAS No. | 1185313-40-9 |
| Molecular Formula | C22H22FNO7S2 |
| Molecular Weight | 495.54 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Ethyl 5-cyclopropyl-2-(4-fluorophenyl)-6-(N-(methylsulfonyl)methylsulfonamido)benzofuran-3-carboxylate (CAS 1185313-40-9), molecular formula C22H22FNO7S2 and molecular weight 495.54 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Ethyl 5-cyclopropyl-2-(4-fluorophenyl)-6-(N-(methylsulfonyl)methylsulfonamido)benzofuran-3-carboxylate (C22H22FNO7S2) is characterized by a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C22H22FNO7S2 |
| Molecular Weight | 495.54 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 2 |
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