TL;DR: Mallotojaponol (CAS 131836-01-6) is a chemical compound with molecular formula C24H30O10 and molecular weight 478.1839 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-[[3-acetyl-5-(2,3-dihydroxy-3-methylbutyl)-2,4,6-trihydroxyphenyl]methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone
Also Known As: mallotojaponol, J1.889.344D, Ethanone, 1-(3-((3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl)5-(2,3-dihydroxy-3-methylbutyl)-2,4,6-trihydroxyphenyl)-, 1-(3-{[3-acetyl-5-(2,3-dihydroxy-3-methylbutyl)-2,4,6-trihydroxyphenyl]methyl}-2,6-dihydroxy-4-methoxy-5-methylphenyl)ethan-1-one, 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-5-(2,3-dihydroxy-3-methylbutyl)-2,4,6-trihydroxyphenyl]ethanone
| Molecular Formula | C24H30O10 |
| Molecular Weight | 478.1839 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 185.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 478.1839 Da |
| Heavy Atoms | 34 |
| Complexity | 727.0 |
| SMILES | CC1=C(C(=C(C(=C1OC)CC2=C(C(=C(C(=C2O)C(=O)C)O)CC(C(C)(C)O)O)O)O)C(=O)C)O |
| InChIKey | CJYWXYKMJMRSBY-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mallotojaponol. The TPSA of 185.0 Ų indicates high polarity, suggesting Mallotojaponol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mallotojaponol has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Mallotojaponol is 131836-01-6.
The molecular formula of Mallotojaponol is C24H30O10.
The molecular weight of Mallotojaponol is 478.1839 g/mol.
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