TL;DR: 1-Phenyl-5-(p-bromophenyl)-3-hydroxy-4-carboxymethyl-2,5-dihydro-2-pyrrolone (CAS 145510-85-6) is a chemical compound with molecular formula C18H14BrNO4 and molecular weight 387.01062 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
Also Known As: 1-Phenyl-5-(p-bromophenyl)-3-hydroxy-4-carboxymethyl-2,5-dihydro-2-pyrrolone, 2,5-Dihydro-2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-1H-pyrrole-3-acetic acid, 1H-Pyrrole-3-acetic acid, 2,5-dihydro-2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-, [2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]acetic acid, 1H-Pyrrole-3-aceticacid, 2-(4-bromophenyl)-2,5-dihydro-4-hydroxy-5-oxo-1-phenyl-
| Molecular Formula | C18H14BrNO4 |
| Molecular Weight | 387.01062 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.01062 Da |
| Heavy Atoms | 24 |
| Complexity | 533.0 |
| SMILES | C1=CC=C(C=C1)N2C(C(=C(C2=O)O)CC(=O)O)C3=CC=C(C=C3)Br |
| InChIKey | IKQFQTHASNTFMG-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-5-(p-bromophenyl)-3-hydroxy-4-carboxymethyl-2,5-dihydro-2-pyrrolone. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-5-(p-bromophenyl)-3-hydroxy-4-carboxymethyl-2,5-dihydro-2-pyrrolone. Following Lipinski's Rule of Five, 1-Phenyl-5-(p-bromophenyl)-3-hydroxy-4-carboxymethyl-2,5-dihydro-2-pyrrolone 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 1-Phenyl-5-(p-bromophenyl)-3-hydroxy-4-carboxymethyl-2,5-dihydro-2-pyrrolone is 145510-85-6.
The molecular formula of 1-Phenyl-5-(p-bromophenyl)-3-hydroxy-4-carboxymethyl-2,5-dihydro-2-pyrrolone is C18H14BrNO4.
The molecular weight of 1-Phenyl-5-(p-bromophenyl)-3-hydroxy-4-carboxymethyl-2,5-dihydro-2-pyrrolone is 387.01062 g/mol.
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