1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carboxylic acid
TL;DR: 1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carboxylic acid (CAS 216681-74-2) is a chemical compound with molecular formula C17H13NO4 and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dioxo-2-(1-phenylethyl)isoindole-5-carboxylic acid
Also Known As: 1,3-DIOXO-2-(1-PHENYLETHYL)ISOINDOLINE-5-CARBOXYLIC ACID, 1,3-dioxo-2-(1-phenylethyl)isoindole-5-carboxylic Acid, 1,3-dioxo-2-(1-phenylethyl)-2,3-dihydro-1H-isoindole-5-carboxylic acid, 1H-isoindole-5-carboxylic acid, 2,3-dihydro-1,3-dioxo-2-(1-phenylethyl)-, 1,3-DIOXO-2-(1-PHENYLETHYL)ISOINDOLINE-5-CARBOXYLICACID
| Molecular Formula | C17H13NO4 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 2.742 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.08447 |
| Heavy Atoms | 22 |
| Complexity | 782.50085 |
Chemical Identifiers
| CAS Number | 216681-74-2 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O |
Product Overview
1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carboxylic acid (CAS 216681-74-2), with molecular formula C17H13NO4 and molecular weight 295.08 g/mol. IUPAC: 1,3-dioxo-2-(1-phenylethyl)isoindole-5-carboxylic acid.
Chemical Property Profile of 1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carboxylic acid
Property Insights of 1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carboxylic acid
The XLogP value of 2.742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carboxylic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carboxylic acid. Following Lipinski's Rule of Five, 1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carboxylic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carboxylic acid?
The CAS number of 1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carboxylic acid is 216681-74-2.
What is the molecular formula of 1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carboxylic acid?
The molecular formula of 1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carboxylic acid is C17H13NO4.
What is the molecular weight of 1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carboxylic acid?
The molecular weight of 1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carboxylic acid is 295.08 g/mol.
Where can I buy 1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carboxylic acid?
You can request a quote for 1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.