TL;DR: Copper, bis(1-phenyl-1,3-pentanedionato-O,O')- (CAS 15443-06-8) is a chemical compound with molecular formula C22H22CuO4 and molecular weight 413.08142 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
copper bis((Z)-3-oxo-1-phenylpent-1-en-1-olate)
Also Known As: EINECS 239-456-2, Bis(1-phenylpentane-1,3-dionato-O,O')copper, Copper, bis(1-phenyl-1,3-pentanedionato-O,O')-, copper (Z)-3-oxo-1-phenylpent-1-en-1-olate
| Molecular Formula | C22H22CuO4 |
| Molecular Weight | 413.08142 g/mol |
| XLogP | 2.7313 |
| Topological Polar Surface Area (TPSA) | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.08142 Da |
| Heavy Atoms | 27 |
| Complexity | 200.0 |
| SMILES | CCC(=O)/C=C(\[O-])/C1=CC=CC=C1.CCC(=O)/C=C(\[O-])/C1=CC=CC=C1.[Cu+2] |
| InChIKey | XJYDXWDSILMOJB-FGAGSVKJSA-L |
The XLogP value of 2.7313 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Copper, bis(1-phenyl-1,3-pentanedionato-O,O')-. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Copper, bis(1-phenyl-1,3-pentanedionato-O,O')-. Following Lipinski's Rule of Five, Copper, bis(1-phenyl-1,3-pentanedionato-O,O')- has 0 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 Copper, bis(1-phenyl-1,3-pentanedionato-O,O')- is 15443-06-8.
The molecular formula of Copper, bis(1-phenyl-1,3-pentanedionato-O,O')- is C22H22CuO4.
The molecular weight of Copper, bis(1-phenyl-1,3-pentanedionato-O,O')- is 413.08142 g/mol.
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