TL;DR: 4-[(3-Oxo-2-phenylinden-1-yl)amino]benzoic acid (CAS 15255-67-1) is a chemical compound with molecular formula C22H15NO3 and molecular weight 341.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(3-oxo-2-phenylinden-1-yl)amino]benzoic acid
Also Known As: 4-[(1-oxo-2-phenyl-1H-inden-3-yl)amino]benzoic acid, 4-[(3-oxo-2-phenylinden-1-yl)amino]benzoic acid, 4-((1-OXO-2-PHENYLINDEN-3-YL)AMINO)BENZOIC ACID, 4-[(1-oxo-2-phenyl-1H-inden-3-yl)amino]benzenecarboxylic acid, 4-[(3-oxo-2-phenyl-inden-1-yl)amino]benzoic Acid
| Molecular Formula | C22H15NO3 |
| Molecular Weight | 341.1052 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.1052 Da |
| Heavy Atoms | 26 |
| Complexity | 582.0 |
| SMILES | C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)C(=O)O |
| InChIKey | PDHCVKKCVRJMKY-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 4-[(3-Oxo-2-phenylinden-1-yl)amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-Oxo-2-phenylinden-1-yl)amino]benzoic acid. Following Lipinski's Rule of Five, 4-[(3-Oxo-2-phenylinden-1-yl)amino]benzoic 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 4-[(3-Oxo-2-phenylinden-1-yl)amino]benzoic acid is 15255-67-1.
The molecular formula of 4-[(3-Oxo-2-phenylinden-1-yl)amino]benzoic acid is C22H15NO3.
The molecular weight of 4-[(3-Oxo-2-phenylinden-1-yl)amino]benzoic acid is 341.1052 g/mol.
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