TL;DR: (Z)-2-hydroxy-4-oxo-4-(4-phenylphenyl)but-2-enoic acid (CAS 160428-91-1) is a chemical compound with molecular formula C16H12O4 and molecular weight 268.07355 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-4-hydroxy-2-oxo-4-(4-phenylphenyl)but-3-enoic acid
Also Known As: J2.519.109I, 4-Biphenyl-4-yl-2-hydroxy-4-oxo-but-2-enoic acid, (Z)-2-hydroxy-4-oxo-4-(4-phenylphenyl)but-2-enoic acid, (Z)-4-hydroxy-2-oxo-4-(4-phenylphenyl)but-3-enoic acid, 2-Hydroxy-4-oxo-4-(biphenyl-4-yl)-2-butenoic acid
| Molecular Formula | C16H12O4 |
| Molecular Weight | 268.07355 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.07355 Da |
| Heavy Atoms | 20 |
| Complexity | 385.0 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)/C(=C/C(=O)C(=O)O)/O |
| InChIKey | NYXKCIHZJJBMKZ-UVTDQMKNSA-N |
The XLogP value of 3.4 indicates that (Z)-2-hydroxy-4-oxo-4-(4-phenylphenyl)but-2-enoic acid 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 (Z)-2-hydroxy-4-oxo-4-(4-phenylphenyl)but-2-enoic acid. Following Lipinski's Rule of Five, (Z)-2-hydroxy-4-oxo-4-(4-phenylphenyl)but-2-enoic acid 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 (Z)-2-hydroxy-4-oxo-4-(4-phenylphenyl)but-2-enoic acid is 160428-91-1.
The molecular formula of (Z)-2-hydroxy-4-oxo-4-(4-phenylphenyl)but-2-enoic acid is C16H12O4.
The molecular weight of (Z)-2-hydroxy-4-oxo-4-(4-phenylphenyl)but-2-enoic acid is 268.07355 g/mol.
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