2-(3-Acetoxyphenyl)-1,3-dioxoisoindoline-5-carboxylic acid
TL;DR: 2-(3-Acetoxyphenyl)-1,3-dioxoisoindoline-5-carboxylic acid (CAS 29178-65-2) is a chemical compound with molecular formula C17H11NO6 and molecular weight 325.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-acetyloxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
Also Known As: AB00074705-01, 2-(3-Acetoxyphenyl)-1,3-dioxoisoindoline-5-carboxylic acid, 2-(3-acetyloxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid, 2-(3-acetyloxyphenyl)-1,3-dioxobenzo[c]azolidine-5-carboxylic acid, 2-[3-(acetyloxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
| Molecular Formula | C17H11NO6 |
|---|---|
| Molecular Weight | 325.06 g/mol |
| LogP | 2.1107 |
| Topological Polar Surface Area | 100.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.05862 |
| Heavy Atoms | 24 |
| Complexity | 901.7038 |
Chemical Identifiers
| CAS Number | 29178-65-2 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O |
Product Overview
2-(3-Acetoxyphenyl)-1,3-dioxoisoindoline-5-carboxylic acid (CAS 29178-65-2), with molecular formula C17H11NO6 and molecular weight 325.06 g/mol. IUPAC: 2-(3-acetyloxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid.
Chemical Property Profile of 2-(3-Acetoxyphenyl)-1,3-dioxoisoindoline-5-carboxylic acid
Property Insights of 2-(3-Acetoxyphenyl)-1,3-dioxoisoindoline-5-carboxylic acid
The XLogP value of 2.1107 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Acetoxyphenyl)-1,3-dioxoisoindoline-5-carboxylic acid. The TPSA of 100.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Acetoxyphenyl)-1,3-dioxoisoindoline-5-carboxylic acid. Following Lipinski's Rule of Five, 2-(3-Acetoxyphenyl)-1,3-dioxoisoindoline-5-carboxylic acid has 1 hydrogen bond donor(s) and 5 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-(3-Acetoxyphenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
The CAS number of 2-(3-Acetoxyphenyl)-1,3-dioxoisoindoline-5-carboxylic acid is 29178-65-2.
What is the molecular formula of 2-(3-Acetoxyphenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
The molecular formula of 2-(3-Acetoxyphenyl)-1,3-dioxoisoindoline-5-carboxylic acid is C17H11NO6.
What is the molecular weight of 2-(3-Acetoxyphenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
The molecular weight of 2-(3-Acetoxyphenyl)-1,3-dioxoisoindoline-5-carboxylic acid is 325.06 g/mol.
Where can I buy 2-(3-Acetoxyphenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
You can request a quote for 2-(3-Acetoxyphenyl)-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-(3-Acetoxyphenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Acetoxyphenyl)-1,3-dioxoisoindoline-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.