TL;DR: 4-(2,4-Dichlorophenyl)-2,4-dioxobutanoic acid (CAS 105356-70-5) is a chemical compound with molecular formula C10H6Cl2O4 and molecular weight 259.96432 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2,4-dichlorophenyl)-2,4-dioxobutanoic acid
Also Known As: 4-(2,4-dichlorophenyl)-2,4-dioxobutanoic acid, 4-(2,4-Dichloro-phenyl)-2,4-dioxo-butyric acid, 4-(2,4-dichlorophenyl)-2,4-dioxo-butanoic Acid, 4-(2,4-Dichlorophenyl)-2,4-dioxobutyric acid, 4-(2,4-dichlorophenyl)-2,4-dioxo-butyric acid
| Molecular Formula | C10H6Cl2O4 |
| Molecular Weight | 259.96432 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.96432 Da |
| Heavy Atoms | 16 |
| Complexity | 316.0 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)C(=O)CC(=O)C(=O)O |
| InChIKey | RKFICNZDWSKKRL-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,4-Dichlorophenyl)-2,4-dioxobutanoic acid. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,4-Dichlorophenyl)-2,4-dioxobutanoic acid. Following Lipinski's Rule of Five, 4-(2,4-Dichlorophenyl)-2,4-dioxobutanoic acid has 1 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 4-(2,4-Dichlorophenyl)-2,4-dioxobutanoic acid is 105356-70-5.
The molecular formula of 4-(2,4-Dichlorophenyl)-2,4-dioxobutanoic acid is C10H6Cl2O4.
The molecular weight of 4-(2,4-Dichlorophenyl)-2,4-dioxobutanoic acid is 259.96432 g/mol.
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