≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCOC(=O)C1=C(OC2=CC(=C(C=C21)C3CC3)N(S(=O)(=O)C)S(=O)(=O)C)C4=CC=C(C=C4)F |
|---|---|
| IUPAC Name | ethyl 6-[bis(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate |
| InChIKey | KFEQGOYOANATEY-UHFFFAOYSA-N |
| INCHI | 1S/C22H22FNO7S2/c1-4-30-22(25)20-17-11-16(13-5-6-13)18(24(32(2,26)27)33(3,28)29)12-19(17)31-21(20)14-7-9-15(23)10-8-14/h7-13H,4-6H2,1-3H3 |
| Isomeric SMILES | CCOC(=O)C1=C(OC2=CC(=C(C=C21)C3CC3)N(S(=O)(=O)C)S(=O)(=O)C)C4=CC=C(C=C4)F |
| PubChem CID | 45789237 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | 2-arylbenzofuran flavonoids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2-arylbenzofuran flavonoids |
| Alternative Parents | Lignans, neolignans and related compounds 2-phenylbenzofurans Sulfanilides Furoic acid esters Furan-3-carboxylic acid esters Fluorobenzenes Aryl fluorides Organosulfonic acids and derivatives Aminosulfonyl compounds Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organooxygen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-arylbenzofuran flavonoid - Neolignan skeleton - 2-phenylbenzofuran - Phenylbenzofuran - Sulfanilide - Furoic acid ester - Benzofuran - Furoic acid or derivatives - Furan-3-carboxylic acid ester - Furan-3-carboxylic acid or derivatives - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Furan - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. |
| External Descriptors | Not available |
| Molecular Weight | 495.500 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Exact Mass | 495.082 Da |
| Monoisotopic Mass | 495.082 Da |
| Topological Polar Surface Area | 128.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 901.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
