TL;DR: 3,5-Dihydroxy-6,7,8-trimethoxy-3',4'-methylenedioxyflavone (CAS 153506-99-1) is a chemical compound with molecular formula C19H16O9 and molecular weight 388.07944 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-benzodioxol-5-yl)-3,5-dihydroxy-6,7,8-trimethoxychromen-4-one
Also Known As: 3,5-Dihydroxy-6,7,8-trimethoxy-3',4'-methylenedioxyflavone, 2-(1,3-benzodioxol-5-yl)-3,5-dihydroxy-6,7,8-trimethoxychromen-4-one, 2-benzo[1,3]dioxol-5-yl-3,5-dihydroxy-6,7,8-trimethoxy-chromen-4-one
| Molecular Formula | C19H16O9 |
| Molecular Weight | 388.07944 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.07944 Da |
| Heavy Atoms | 28 |
| Complexity | 635.0 |
| SMILES | COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC4=C(C=C3)OCO4)O)OC)OC |
| InChIKey | VEJKPQYWRAAMHA-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 3,5-Dihydroxy-6,7,8-trimethoxy-3',4'-methylenedioxyflavone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dihydroxy-6,7,8-trimethoxy-3',4'-methylenedioxyflavone. Following Lipinski's Rule of Five, 3,5-Dihydroxy-6,7,8-trimethoxy-3',4'-methylenedioxyflavone has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3,5-Dihydroxy-6,7,8-trimethoxy-3',4'-methylenedioxyflavone is 153506-99-1.
The molecular formula of 3,5-Dihydroxy-6,7,8-trimethoxy-3',4'-methylenedioxyflavone is C19H16O9.
The molecular weight of 3,5-Dihydroxy-6,7,8-trimethoxy-3',4'-methylenedioxyflavone is 388.07944 g/mol.
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