2-(4-Mercaptophenyl)-1,3-dioxoisoindoline-5-carboxylic acid
TL;DR: 2-(4-Mercaptophenyl)-1,3-dioxoisoindoline-5-carboxylic acid (CAS 332129-06-3) is a chemical compound with molecular formula C15H9NO4S and molecular weight 299.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dioxo-2-(4-sulfanylphenyl)isoindole-5-carboxylic acid
Also Known As: CHEMBRDG-BB 5963135, CHEMBRDG-BB5963135, 2-(4-MERCAPTOPHENYL)-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID, BAS 01169777, 1,3-dioxo-2-(4-sulfanylphenyl)isoindole-5-carboxylic acid
| Molecular Formula | C15H9NO4S |
|---|---|
| Molecular Weight | 299.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.02524 |
| Heavy Atoms | 21 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 332129-06-3 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)S |
| InChIKey | NUXCZVSGXYONCO-UHFFFAOYSA-N |
Product Overview
2-(4-Mercaptophenyl)-1,3-dioxoisoindoline-5-carboxylic acid (CAS 332129-06-3), with molecular formula C15H9NO4S and molecular weight 299.03 g/mol. IUPAC: 1,3-dioxo-2-(4-sulfanylphenyl)isoindole-5-carboxylic acid.
Chemical Property Profile of 2-(4-Mercaptophenyl)-1,3-dioxoisoindoline-5-carboxylic acid
Property Insights of 2-(4-Mercaptophenyl)-1,3-dioxoisoindoline-5-carboxylic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Mercaptophenyl)-1,3-dioxoisoindoline-5-carboxylic acid. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Mercaptophenyl)-1,3-dioxoisoindoline-5-carboxylic acid. Following Lipinski's Rule of Five, 2-(4-Mercaptophenyl)-1,3-dioxoisoindoline-5-carboxylic acid has 2 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-(4-Mercaptophenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
The CAS number of 2-(4-Mercaptophenyl)-1,3-dioxoisoindoline-5-carboxylic acid is 332129-06-3.
What is the molecular formula of 2-(4-Mercaptophenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
The molecular formula of 2-(4-Mercaptophenyl)-1,3-dioxoisoindoline-5-carboxylic acid is C15H9NO4S.
What is the molecular weight of 2-(4-Mercaptophenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
The molecular weight of 2-(4-Mercaptophenyl)-1,3-dioxoisoindoline-5-carboxylic acid is 299.03 g/mol.
Where can I buy 2-(4-Mercaptophenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
You can request a quote for 2-(4-Mercaptophenyl)-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-(4-Mercaptophenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Mercaptophenyl)-1,3-dioxoisoindoline-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.