TL;DR: 4-(Furan-2-yl)-4-oxobutanoic acid (CAS 1185300-55-3) is a chemical compound with molecular formula C8H8O4 and molecular weight 168.04225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(furan-2-yl)-4-oxobutanoic acid
Also Known As: 4-(furan-2-yl)-4-oxobutanoic acid, 4-Furan-2-yl-4-oxo-butyric acid, 4-(2-furyl)-4-oxobutanoic acid, 4-Formyl-trans-stilbene, B-(2-furoyl)-propanoic acid
| Molecular Formula | C8H8O4 |
| Molecular Weight | 168.04225 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 67.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.04225 Da |
| Heavy Atoms | 12 |
| Complexity | 187.0 |
| SMILES | C1=COC(=C1)C(=O)CCC(=O)O |
| InChIKey | WVIZXFWNDLSDAW-UHFFFAOYSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Furan-2-yl)-4-oxobutanoic acid. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Furan-2-yl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(Furan-2-yl)-4-oxobutanoic 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-(Furan-2-yl)-4-oxobutanoic acid is 1185300-55-3.
The molecular formula of 4-(Furan-2-yl)-4-oxobutanoic acid is C8H8O4.
The molecular weight of 4-(Furan-2-yl)-4-oxobutanoic acid is 168.04225 g/mol.
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