TL;DR: 2-(4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)phenyl)propionic acid (CAS 59430-61-4) is a chemical compound with molecular formula C17H13NO4 and molecular weight 295.08447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]propanoic acid
Also Known As: 2-(4-phthalimido-phenyl)-propionic acid, 2-(4-(1,3-Dioxoisoindolin-2-yl)phenyl)propanoic acid, 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]propanoic acid, 2-(4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)phenyl)propionic acid, 2-[4-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)phenyl]propanoic acid
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C17H13NO4 |
| Molecular Weight | 295.08447 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.08447 Da |
| Heavy Atoms | 22 |
| Complexity | 457.0 |
| SMILES | CC(C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O)C(=O)O |
| InChIKey | ACRMAHMDLNNSNK-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)phenyl)propionic acid. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)phenyl)propionic acid. Following Lipinski's Rule of Five, 2-(4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)phenyl)propionic 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 2-(4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)phenyl)propionic acid is 59430-61-4.
The molecular formula of 2-(4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)phenyl)propionic acid is C17H13NO4.
The molecular weight of 2-(4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)phenyl)propionic acid is 295.08447 g/mol.
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