TL;DR: 5,3',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone (CAS 81943-52-4) is a chemical compound with molecular formula C19H18O9 and molecular weight 390.0951 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxychromen-4-one
Also Known As: THTMF, 5,3',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone, MS/434, 5,4',5'-Trihydroxy-3,6,7,8-tetramethoxyflavone, 3,5,3'-Trihydroxy-6,7,8,4'-tetramethoxyflavone
| Molecular Formula | C19H18O9 |
| Molecular Weight | 390.0951 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.0951 Da |
| Heavy Atoms | 28 |
| Complexity | 606.0 |
| SMILES | COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC)OC)OC |
| InChIKey | WQDGAXUSPJAKPY-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,3',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,3',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone. Following Lipinski's Rule of Five, 5,3',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone has 3 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 5,3',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone is 81943-52-4.
The molecular formula of 5,3',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone is C19H18O9.
The molecular weight of 5,3',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone is 390.0951 g/mol.
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