Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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Moligand™ Moligand™ 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.
| ALogP | 3.1 |
|---|
| Sonrisas canónicas | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O |
|---|---|
| IUPAC Name | 5-[(1R)-2-[6-(2,2-difluoro-2-phenylethoxy)hexylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one |
| InChIKey | SFYAXIFVXBKRPK-QFIPXVFZSA-N |
| INCHI | 1S/C25H30F2N2O4/c26-25(27,18-8-4-3-5-9-18)17-33-15-7-2-1-6-14-28-16-22(31)19-10-12-21(30)24-20(19)11-13-23(32)29-24/h3-5,8-13,22,28,30-31H,1-2,6-7,14-17H2,(H,29,32)/t22-/m0/s1 |
| Isómeros SMILES | C1=CC=C(C=C1)C(COCCCCCCNC[C@@H](C2=C3C=CC(=O)NC3=C(C=C2)O)O)(F)F |
| PubChem CID | 11962616 |
| Peso molecular | 460.5 |
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 | Organoheterocyclic compounds |
| Clase | Quinolines and derivatives |
| Subclass | Quinolones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroxyquinolones |
| Alternative Parents | 8-hydroxyquinolines Hydroxyquinolines Hydroquinolones Hydroquinolines 1-hydroxy-2-unsubstituted benzenoids Pyridinones Aralkylamines Benzene and substituted derivatives Heteroaromatic compounds 1,2-aminoalcohols Secondary alcohols Lactams Azacyclic compounds Dialkyl ethers Dialkylamines Organofluorides Aromatic alcohols Organic oxides Alkyl fluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Hydroxyquinolone - Dihydroquinolone - Hydroxyquinoline - 8-hydroxyquinoline - Dihydroquinoline - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Pyridinone - Phenol - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - 1,2-aminoalcohol - Lactam - Secondary alcohol - Dialkyl ether - Secondary aliphatic amine - Ether - Azacycle - Secondary amine - Aromatic alcohol - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Alcohol - Organic nitrogen compound - Organic oxygen compound - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as hydroxyquinolones. These are compounds containing a quinoline moiety bearing a hydroxyl group and a ketone. Quinoline or benzo[b]pyridine is a bicyclic compound that consists of benzene fused to a pyridine. |
| External Descriptors | Not available |
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| Peso molecular | 460.500 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 13 |
| Exact Mass | 460.217 Da |
| Monoisotopic Mass | 460.217 Da |
| Topological Polar Surface Area | 90.800 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 628.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
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