TL;DR: 3-(2-(3,4-Dimethoxybenzoyl)-4,5-dimethoxyphenyl)pentan-2-one (CAS 15462-91-6) is a chemical compound with molecular formula C22H26O6 and molecular weight 386.17294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one
Also Known As: 3-(2-(3,4-Dimethoxybenzoyl)-4,5-dimethoxyphenyl)pentan-2-one, 3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one, 3-[2-(3,4-dimethoxy-benzoyl)-4,5-dimethoxy-phenyl]-pentan-2-one, 2-Chloro-6-fluorobenzaldehyde oxime, Benzophenone, 2-(1-ethylacetonyl)-3',4,4',5-tetramethoxy-
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C22H26O6 |
| Molecular Weight | 386.17294 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 386.17294 Da |
| Heavy Atoms | 28 |
| Complexity | 521.0 |
| SMILES | CCC(C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)OC)OC)OC)OC)C(=O)C |
| InChIKey | ZWUMDFWFKWDFBI-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 3-(2-(3,4-Dimethoxybenzoyl)-4,5-dimethoxyphenyl)pentan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-(3,4-Dimethoxybenzoyl)-4,5-dimethoxyphenyl)pentan-2-one. Following Lipinski's Rule of Five, 3-(2-(3,4-Dimethoxybenzoyl)-4,5-dimethoxyphenyl)pentan-2-one has 0 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 3-(2-(3,4-Dimethoxybenzoyl)-4,5-dimethoxyphenyl)pentan-2-one is 15462-91-6.
The molecular formula of 3-(2-(3,4-Dimethoxybenzoyl)-4,5-dimethoxyphenyl)pentan-2-one is C22H26O6.
The molecular weight of 3-(2-(3,4-Dimethoxybenzoyl)-4,5-dimethoxyphenyl)pentan-2-one is 386.17294 g/mol.
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