2-(1-carboxy-2-phenylethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
TL;DR: 2-(1-carboxy-2-phenylethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid (CAS 131613-55-3) is a chemical compound with molecular formula C18H13NO6 and molecular weight 339.07428 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-carboxy-2-phenylethyl)-1,3-dioxoisoindole-5-carboxylic acid
Also Known As: J2.180.717F, 2-(1-carboxy-2-phenylethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid, 2-(1-carboxy-2-phenylethyl)-1,3-dioxo-5-isoindolinecarboxylic acid, 2-(1-carboxy-2-phenylethyl)-1,3-dioxoisoindoline-5-carboxylic acid, 2-(1,3-Dioxo-5-carboxyisoindoline-2-yl)-3-phenylpropanoic acid
Technical Specifications
| Molecular Formula | C18H13NO6 |
| Molecular Weight | 339.07428 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.07428 Da |
| Heavy Atoms | 25 |
| Complexity | 582.0 |
| SMILES | C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O |
| InChIKey | BUXYTSPIQFCVLN-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1-carboxy-2-phenylethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Property Insights of 2-(1-carboxy-2-phenylethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-carboxy-2-phenylethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-carboxy-2-phenylethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid. Following Lipinski's Rule of Five, 2-(1-carboxy-2-phenylethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(1-carboxy-2-phenylethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid?
The CAS number of 2-(1-carboxy-2-phenylethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid is 131613-55-3.
What is the molecular formula of 2-(1-carboxy-2-phenylethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid?
The molecular formula of 2-(1-carboxy-2-phenylethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid is C18H13NO6.
What is the molecular weight of 2-(1-carboxy-2-phenylethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid?
The molecular weight of 2-(1-carboxy-2-phenylethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid is 339.07428 g/mol.
Where can I buy 2-(1-carboxy-2-phenylethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid?
You can request a quote for 2-(1-carboxy-2-phenylethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1-carboxy-2-phenylethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 2-(1-carboxy-2-phenylethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.