![4-[(1,3-Dioxo-5-benzo[de]isoquinolinyl)sulfonylamino]benzoic acid structure](/static/products/7142/714261-20-8.webp)
4-[(1,3-Dioxo-5-benzo[de]isoquinolinyl)sulfonylamino]benzoic acid
TL;DR: 4-[(1,3-Dioxo-5-benzo[de]isoquinolinyl)sulfonylamino]benzoic acid (CAS 714261-20-8) is a chemical compound with molecular formula C19H12N2O6S and molecular weight 396.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1,3-dioxobenzo[de]isoquinolin-5-yl)sulfonylamino]benzoic acid
Also Known As: ChemDiv3_007044, IDI1_024954, AB00686395-01, F1679-0128, 4-[(1,3-dioxo-5-benzo[de]isoquinolinyl)sulfonylamino]benzoic acid
| Molecular Formula | C19H12N2O6S |
|---|---|
| Molecular Weight | 396.04 g/mol |
| LogP | 2.2224 |
| Topological Polar Surface Area | 129.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.0416 |
| Heavy Atoms | 28 |
| Complexity | 1279.7717 |
Chemical Identifiers
| CAS Number | 714261-20-8 |
|---|---|
| SMILES | C1=CC2=CC(=CC3=C2C(=C1)C(=O)NC3=O)S(=O)(=O)NC4=CC=C(C=C4)C(=O)O |
Product Overview
4-[(1,3-Dioxo-5-benzo[de]isoquinolinyl)sulfonylamino]benzoic acid (CAS 714261-20-8), with molecular formula C19H12N2O6S and molecular weight 396.04 g/mol. IUPAC: 4-[(1,3-dioxobenzo[de]isoquinolin-5-yl)sulfonylamino]benzoic acid.
Chemical Property Profile of 4-[(1,3-Dioxo-5-benzo[de]isoquinolinyl)sulfonylamino]benzoic acid
Property Insights of 4-[(1,3-Dioxo-5-benzo[de]isoquinolinyl)sulfonylamino]benzoic acid
The XLogP value of 2.2224 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(1,3-Dioxo-5-benzo[de]isoquinolinyl)sulfonylamino]benzoic acid. The TPSA of 129.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1,3-Dioxo-5-benzo[de]isoquinolinyl)sulfonylamino]benzoic acid. Following Lipinski's Rule of Five, 4-[(1,3-Dioxo-5-benzo[de]isoquinolinyl)sulfonylamino]benzoic acid has 3 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 4-[(1,3-Dioxo-5-benzo[de]isoquinolinyl)sulfonylamino]benzoic acid?
The CAS number of 4-[(1,3-Dioxo-5-benzo[de]isoquinolinyl)sulfonylamino]benzoic acid is 714261-20-8.
What is the molecular formula of 4-[(1,3-Dioxo-5-benzo[de]isoquinolinyl)sulfonylamino]benzoic acid?
The molecular formula of 4-[(1,3-Dioxo-5-benzo[de]isoquinolinyl)sulfonylamino]benzoic acid is C19H12N2O6S.
What is the molecular weight of 4-[(1,3-Dioxo-5-benzo[de]isoquinolinyl)sulfonylamino]benzoic acid?
The molecular weight of 4-[(1,3-Dioxo-5-benzo[de]isoquinolinyl)sulfonylamino]benzoic acid is 396.04 g/mol.
Where can I buy 4-[(1,3-Dioxo-5-benzo[de]isoquinolinyl)sulfonylamino]benzoic acid?
You can request a quote for 4-[(1,3-Dioxo-5-benzo[de]isoquinolinyl)sulfonylamino]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-[(1,3-Dioxo-5-benzo[de]isoquinolinyl)sulfonylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1,3-Dioxo-5-benzo[de]isoquinolinyl)sulfonylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.