TL;DR: [4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]acetic acid (CAS 149021-21-6) is a chemical compound with molecular formula C19H17NO5 and molecular weight 339.1107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
Also Known As: [4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]acetic acid|2-(4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)acetic acid|2-[4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid|MLS000081313|CHEMBL1566333|STL345602|SMR000045632
| Molecular Formula | C19H17NO5 |
| Molecular Weight | 339.1107 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.1107 Da |
| Heavy Atoms | 25 |
| Complexity | 544.0 |
| SMILES | COC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=CC=CC=C3)O)CC(=O)O |
| InChIKey | GHAMAABQYIMQSA-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]acetic acid. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]acetic acid. Following Lipinski's Rule of Five, [4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]acetic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]acetic acid is 149021-21-6.
The molecular formula of [4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]acetic acid is C19H17NO5.
The molecular weight of [4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]acetic acid is 339.1107 g/mol.
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