10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
selective human TLR2 antagonist
| ALogP | 4.674 |
|---|---|
| Conteggio HBD | 2 |
| Legame rotabile | 5 |
| Sorrisi canonici | CCCC1=CC(=C(C=C1O)O)C(=O)CC2=NC3=CC=CC=C3S2 |
|---|---|
| IUPAC Name | 2-(1,3-benzothiazol-2-yl)-1-(2,4-dihydroxy-5-propylphenyl)ethanone |
| InChIKey | MZJUMUKBAFVSPJ-UHFFFAOYSA-N |
| INCHI | 1S/C18H17NO3S/c1-2-5-11-8-12(15(21)9-14(11)20)16(22)10-18-19-13-6-3-4-7-17(13)23-18/h3-4,6-9,20-21H,2,5,10H2,1H3 |
| Isomeri SMILES | CCCC1=CC(=C(C=C1O)O)C(=O)CC2=NC3=CC=CC=C3S2 |
| PubChem CID | 679873 |
| Peso molecolare | 327.4 |
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 | Organic oxygen compounds |
| Classe | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Phenylpropanes Benzothiazoles Resorcinols Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alkyl-phenylketone - 1,3-benzothiazole - Phenylpropane - Benzoyl - Aryl alkyl ketone - Resorcinol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Vinylogous acid - Thiazole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
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| DMSO (mM) Solubilità massima | 10 |
|---|---|
| Peso molecolare | 327.400 g/mol |
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 327.093 Da |
| Monoisotopic Mass | 327.093 Da |
| Topological Polar Surface Area | 98.700 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 419.000 |
| 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 |
