TL;DR: 1,8-Dihydroxy-10-(1-oxo-3-phenyl-2-propenyl)-9(10H)-anthracenone (CAS 162750-58-5) is a chemical compound with molecular formula C23H16O4 and molecular weight 356.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,8-dihydroxy-10-[(E)-3-phenylprop-2-enoyl]-10H-anthracen-9-one
Also Known As: 1,8-Dihydroxy-10-(1-oxo-3-phenyl-2-propenyl)-9(10H)-anthracenone, 1,8-Dihydroxy-10-trans-cinnamoylanthracen-9(10H)-one, 1,8-Dihydroxy-10-(trans-cinnamoyl)anthracene-9(10H)-one, (E)-1,8-Dihydroxy-10-(3-phenyl-acryloyl)-10H-anthracen-9-one, 1,8-dihydroxy-10-[(E)-3-phenylprop-2-enoyl]-10H-anthracen-9-one
| Molecular Formula | C23H16O4 |
| Molecular Weight | 356.10486 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.10486 Da |
| Heavy Atoms | 27 |
| Complexity | 561.0 |
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)C2C3=C(C(=CC=C3)O)C(=O)C4=C2C=CC=C4O |
| InChIKey | OHOVLBYFGZHAMC-OUKQBFOZSA-N |
The XLogP value of 4.7 indicates that 1,8-Dihydroxy-10-(1-oxo-3-phenyl-2-propenyl)-9(10H)-anthracenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,8-Dihydroxy-10-(1-oxo-3-phenyl-2-propenyl)-9(10H)-anthracenone. Following Lipinski's Rule of Five, 1,8-Dihydroxy-10-(1-oxo-3-phenyl-2-propenyl)-9(10H)-anthracenone has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,8-Dihydroxy-10-(1-oxo-3-phenyl-2-propenyl)-9(10H)-anthracenone is 162750-58-5.
The molecular formula of 1,8-Dihydroxy-10-(1-oxo-3-phenyl-2-propenyl)-9(10H)-anthracenone is C23H16O4.
The molecular weight of 1,8-Dihydroxy-10-(1-oxo-3-phenyl-2-propenyl)-9(10H)-anthracenone is 356.10486 g/mol.
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