2-(2-Ethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid
TL;DR: 2-(2-Ethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid (CAS 690671-26-2) 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.
2-(2-ethylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
Also Known As: 2-(2-ETHYLPHENYL)-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID, CHEMBRDG-BB 7031786, CHEMBRDG-BB7031786, 2-(2-ethylphenyl)-1,3-dioxoisoindole-5-carboxylic acid, (3-piperidin-1-ylsulfonylphenyl)boronic acid
| Molecular Formula | C17H13NO4 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 2.7478 |
| 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 | 810.0563 |
Chemical Identifiers
| CAS Number | 690671-26-2 |
|---|---|
| SMILES | CCC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O |
Product Overview
2-(2-Ethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid (CAS 690671-26-2), with molecular formula C17H13NO4 and molecular weight 295.08 g/mol. IUPAC: 2-(2-ethylphenyl)-1,3-dioxoisoindole-5-carboxylic acid.
Chemical Property Profile of 2-(2-Ethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid
Property Insights of 2-(2-Ethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid
The XLogP value of 2.7478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Ethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Ethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid. Following Lipinski's Rule of Five, 2-(2-Ethylphenyl)-1,3-dioxoisoindoline-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 2-(2-Ethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
The CAS number of 2-(2-Ethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid is 690671-26-2.
What is the molecular formula of 2-(2-Ethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
The molecular formula of 2-(2-Ethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid is C17H13NO4.
What is the molecular weight of 2-(2-Ethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
The molecular weight of 2-(2-Ethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid is 295.08 g/mol.
Where can I buy 2-(2-Ethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
You can request a quote for 2-(2-Ethylphenyl)-1,3-dioxoisoindoline-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 2-(2-Ethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Ethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.