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.
| Sonrisas canónicas | CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCN(CC3)C)C4=CC(=C(C=C4)OC)OC |
|---|---|
| IUPAC Name | 3-(3,4-dimethoxyphenyl)-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]chromen-4-one |
| InChIKey | ZWFNWOXAYYWPMF-UHFFFAOYSA-N |
| INCHI | 1S/C24H28N2O5/c1-15-22(16-5-8-20(29-3)21(13-16)30-4)23(28)17-6-7-19(27)18(24(17)31-15)14-26-11-9-25(2)10-12-26/h5-8,13,27H,9-12,14H2,1-4H3 |
| Peso molecular | 424.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Clase | Isoflavonoids |
| Subclass | O-methylated isoflavonoids |
| Intermediate Tree Nodes | 4'-O-methylated isoflavonoids |
| Direct Parent | 4'-O-methylisoflavones |
| Alternative Parents | 3'-O-methylisoflavones Isoflavones Chromones Dimethoxybenzenes Phenoxy compounds Anisoles Pyranones and derivatives Phenoxides Alkyl aryl ethers Aralkylamines N-methylpiperazines Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Organic oxides Organic zwitterions Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3p-methoxyisoflavone - 4p-o-methylisoflavone - Isoflavone - Chromone - 1-benzopyran - Benzopyran - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Pyranone - Phenoxide - Alkyl aryl ether - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - Pyran - Monocyclic benzene moiety - Benzenoid - 1,4-diazinane - Piperazine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Ether - Organoheterocyclic compound - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 4'-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C4' atom of the isoflavone backbone. |
| External Descriptors | Not available |
| Peso molecular | 424.500 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 424.2 Da |
| Monoisotopic Mass | 424.2 Da |
| Topological Polar Surface Area | 71.500 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 675.000 |
| 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 |
![3-(3,4-dimethoxyphenyl)-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4H-chromen-4-one , CAS No.637746-86-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)