![4-[2-(3-Hydroxyphenyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]sulfonylbenzoic acid structure](/static/products/596/5967-76-0.png)
4-[2-(3-Hydroxyphenyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]sulfonylbenzoic acid
TL;DR: 4-[2-(3-Hydroxyphenyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]sulfonylbenzoic acid (CAS 5967-76-0) is a chemical compound with molecular formula C25H15NO7S and molecular weight 473.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(3-hydroxyphenyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]sulfonylbenzoic acid
Also Known As: ChemDiv1_004357, BAS 01169771, BIM-0039462.P001, 4-[2-(3-hydroxyphenyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]sulfonylbenzoic acid, 4-{[2-(3-hydroxyphenyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl]sulfonyl}benzoic acid
| Molecular Formula | C25H15NO7S |
|---|---|
| Molecular Weight | 473.06 g/mol |
| LogP | 3.877 |
| Topological Polar Surface Area | 129.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 473.05692 |
| Heavy Atoms | 34 |
| Complexity | 1617.9458 |
Chemical Identifiers
| CAS Number | 5967-76-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O)N2C(=O)C3=C4C(=C(C=C3)S(=O)(=O)C5=CC=C(C=C5)C(=O)O)C=CC=C4C2=O |
Product Overview
4-[2-(3-Hydroxyphenyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]sulfonylbenzoic acid (CAS 5967-76-0), with molecular formula C25H15NO7S and molecular weight 473.06 g/mol. IUPAC: 4-[2-(3-hydroxyphenyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]sulfonylbenzoic acid.
Chemical Property Profile of 4-[2-(3-Hydroxyphenyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]sulfonylbenzoic acid
Property Insights of 4-[2-(3-Hydroxyphenyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]sulfonylbenzoic acid
The XLogP value of 3.877 indicates that 4-[2-(3-Hydroxyphenyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]sulfonylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(3-Hydroxyphenyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]sulfonylbenzoic acid. Following Lipinski's Rule of Five, 4-[2-(3-Hydroxyphenyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]sulfonylbenzoic acid has 2 hydrogen bond donor(s) and 6 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-(3-Hydroxyphenyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]sulfonylbenzoic acid?
The CAS number of 4-[2-(3-Hydroxyphenyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]sulfonylbenzoic acid is 5967-76-0.
What is the molecular formula of 4-[2-(3-Hydroxyphenyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]sulfonylbenzoic acid?
The molecular formula of 4-[2-(3-Hydroxyphenyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]sulfonylbenzoic acid is C25H15NO7S.
What is the molecular weight of 4-[2-(3-Hydroxyphenyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]sulfonylbenzoic acid?
The molecular weight of 4-[2-(3-Hydroxyphenyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]sulfonylbenzoic acid is 473.06 g/mol.
Where can I buy 4-[2-(3-Hydroxyphenyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]sulfonylbenzoic acid?
You can request a quote for 4-[2-(3-Hydroxyphenyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]sulfonylbenzoic 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-(3-Hydroxyphenyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]sulfonylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(3-Hydroxyphenyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]sulfonylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.