4-((2-(4-hydroxybenzamido)-1,3-dioxoisoindolin-5-yl)sulfonyl)benzoic acid
TL;DR: 4-((2-(4-hydroxybenzamido)-1,3-dioxoisoindolin-5-yl)sulfonyl)benzoic acid (CAS 404846-25-9) is a chemical compound with molecular formula C22H14N2O8S and molecular weight 466.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(4-hydroxybenzoyl)amino]-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid
Also Known As: 4-((2-(4-hydroxybenzamido)-1,3-dioxoisoindolin-5-yl)sulfonyl)benzoic acid, 4-[(2-{[(4-hydroxyphenyl)carbonyl]amino}-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)sulfonyl]benzoic acid, 4-[2-[(4-hydroxybenzoyl)amino]-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid, 4-[2-[(4-hydroxybenzoyl)amino]-1,3-dioxo-isoindol-5-yl]sulfonylbenzoic Acid, 4-({2-[(4-hydroxybenzoyl)amino]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}sulfonyl)benzoic acid
| Molecular Formula | C22H14N2O8S |
|---|---|
| Molecular Weight | 466.05 g/mol |
| LogP | 1.8642 |
| Topological Polar Surface Area | 158.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.0471 |
| Heavy Atoms | 33 |
| Complexity | 1428.2225 |
Chemical Identifiers
| CAS Number | 404846-25-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NN2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O)O |
Product Overview
4-((2-(4-hydroxybenzamido)-1,3-dioxoisoindolin-5-yl)sulfonyl)benzoic acid (CAS 404846-25-9), with molecular formula C22H14N2O8S and molecular weight 466.05 g/mol. IUPAC: 4-[2-[(4-hydroxybenzoyl)amino]-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid.
Chemical Property Profile of 4-((2-(4-hydroxybenzamido)-1,3-dioxoisoindolin-5-yl)sulfonyl)benzoic acid
Property Insights of 4-((2-(4-hydroxybenzamido)-1,3-dioxoisoindolin-5-yl)sulfonyl)benzoic acid
The XLogP value of 1.8642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((2-(4-hydroxybenzamido)-1,3-dioxoisoindolin-5-yl)sulfonyl)benzoic acid. The TPSA of 158.15 Ų indicates high polarity, suggesting 4-((2-(4-hydroxybenzamido)-1,3-dioxoisoindolin-5-yl)sulfonyl)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-((2-(4-hydroxybenzamido)-1,3-dioxoisoindolin-5-yl)sulfonyl)benzoic acid has 3 hydrogen bond donor(s) and 7 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 4-((2-(4-hydroxybenzamido)-1,3-dioxoisoindolin-5-yl)sulfonyl)benzoic acid?
The CAS number of 4-((2-(4-hydroxybenzamido)-1,3-dioxoisoindolin-5-yl)sulfonyl)benzoic acid is 404846-25-9.
What is the molecular formula of 4-((2-(4-hydroxybenzamido)-1,3-dioxoisoindolin-5-yl)sulfonyl)benzoic acid?
The molecular formula of 4-((2-(4-hydroxybenzamido)-1,3-dioxoisoindolin-5-yl)sulfonyl)benzoic acid is C22H14N2O8S.
What is the molecular weight of 4-((2-(4-hydroxybenzamido)-1,3-dioxoisoindolin-5-yl)sulfonyl)benzoic acid?
The molecular weight of 4-((2-(4-hydroxybenzamido)-1,3-dioxoisoindolin-5-yl)sulfonyl)benzoic acid is 466.05 g/mol.
Where can I buy 4-((2-(4-hydroxybenzamido)-1,3-dioxoisoindolin-5-yl)sulfonyl)benzoic acid?
You can request a quote for 4-((2-(4-hydroxybenzamido)-1,3-dioxoisoindolin-5-yl)sulfonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2-(4-hydroxybenzamido)-1,3-dioxoisoindolin-5-yl)sulfonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-(4-hydroxybenzamido)-1,3-dioxoisoindolin-5-yl)sulfonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.