TL;DR: (Z)-2-(2-nitrophenyl)-3-phenylprop-2-enoic acid (CAS 107918-05-8) is a chemical compound with molecular formula C15H11NO4 and molecular weight 269.06882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-2-(2-nitrophenyl)-3-phenylprop-2-enoic acid
Also Known As: 2-(2-Nitro-phenyl)-3-phenyl-acrylsaeure, 2-(2-nitro-phenyl)-3-phenyl-acrylic acid, 2-(2-nitrophenyl)-3-phenyl-prop-2-enoic Acid, (Z)-2-(2-nitrophenyl)-3-phenylprop-2-enoic acid
| Molecular Formula | C15H11NO4 |
| Molecular Weight | 269.06882 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.06882 Da |
| Heavy Atoms | 20 |
| Complexity | 393.0 |
| SMILES | C1=CC=C(C=C1)/C=C(/C2=CC=CC=C2[N+](=O)[O-])\C(=O)O |
| InChIKey | QJDMBTXQRHVJFT-RAXLEYEMSA-N |
The XLogP value of 3.3 indicates that (Z)-2-(2-nitrophenyl)-3-phenylprop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(2-nitrophenyl)-3-phenylprop-2-enoic acid. Following Lipinski's Rule of Five, (Z)-2-(2-nitrophenyl)-3-phenylprop-2-enoic 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 (Z)-2-(2-nitrophenyl)-3-phenylprop-2-enoic acid is 107918-05-8.
The molecular formula of (Z)-2-(2-nitrophenyl)-3-phenylprop-2-enoic acid is C15H11NO4.
The molecular weight of (Z)-2-(2-nitrophenyl)-3-phenylprop-2-enoic acid is 269.06882 g/mol.
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