≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | C1=CC=C2C(=C1)N=C(S2)NC(C3=CC=C(C=C3)OC(F)F)C4=C(C5=C(C=CC=N5)C=C4)O |
|---|---|
| IUPAC Name | 7-[(1,3-benzothiazol-2-ylamino)-[4-(difluoromethoxy)phenyl]methyl]quinolin-8-ol |
| InChIKey | YDSHHDISKUSKFW-UHFFFAOYSA-N |
| INCHI | 1S/C24H17F2N3O2S/c25-23(26)31-16-10-7-15(8-11-16)20(29-24-28-18-5-1-2-6-19(18)32-24)17-12-9-14-4-3-13-27-21(14)22(17)30/h1-13,20,23,30H,(H,28,29) |
| Isomeric SMILES | C1=CC=C2C(=C1)N=C(S2)NC(C3=CC=C(C=C3)OC(F)F)C4=C(C5=C(C=CC=N5)C=C4)O |
| PubChem CID | 3783668 |
| Molecular Weight | 449.47 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | 8-hydroxyquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 8-hydroxyquinolines |
| Alternative Parents | Benzothiazoles Phenoxy compounds Phenol ethers 1-hydroxy-4-unsubstituted benzenoids Pyridines and derivatives 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives Amines Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 8-hydroxyquinoline - 1,3-benzothiazole - Phenoxy compound - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Pyridine - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Azacycle - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 8-hydroxyquinolines. These are compounds containing a quinoline moiety, which carries a hydroxy group at the 8-position. Quinoline consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. |
| External Descriptors | Not available |
| Molecular Weight | 449.500 g/mol |
|---|---|
| XLogP3 | 6.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 449.101 Da |
| Monoisotopic Mass | 449.101 Da |
| Topological Polar Surface Area | 95.500 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 610.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![7-((Benzo[d]thiazol-2-ylamino)(4-(difluoromethoxy)phenyl)methyl)quinolin-8-ol - ≥98% CAS No(446826-86-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/B/1/B1341920.jpg)