TL;DR: 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylpent-2-enyl)chromen-4-one (CAS 129145-53-5) is a chemical compound with molecular formula C21H20O6 and molecular weight 368.12598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylpent-2-enyl)chromen-4-one
Also Known As: Gancaonin O, 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-buten-1-yl)-, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(E)-3-methylpent-2-enyl]chromen-4-one
| Molecular Formula | C21H20O6 |
| Molecular Weight | 368.12598 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.12598 Da |
| Heavy Atoms | 27 |
| Complexity | 612.0 |
| SMILES | CCC(=CCC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)C |
| InChIKey | ZLWRESLPIXVSSX-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylpent-2-enyl)chromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylpent-2-enyl)chromen-4-one. Following Lipinski's Rule of Five, 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylpent-2-enyl)chromen-4-one has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylpent-2-enyl)chromen-4-one is 129145-53-5.
The molecular formula of 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylpent-2-enyl)chromen-4-one is C21H20O6.
The molecular weight of 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylpent-2-enyl)chromen-4-one is 368.12598 g/mol.
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