![3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)benzoic acid structure](/static/products/2028/202805-08-1.webp)
3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)benzoic acid
TL;DR: 3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)benzoic acid (CAS 202805-08-1) is a chemical compound with molecular formula C19H11NO4 and molecular weight 317.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-dioxobenzo[de]isoquinolin-2-yl)benzoic acid
Also Known As: 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid, BAS 00355115, 3-(1,3-dioxobenzo[de]isoquinolin-2-yl)benzoic acid, 3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)benzoic acid, J3.167.870F
| Molecular Formula | C19H11NO4 |
|---|---|
| Molecular Weight | 317.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.06882 |
| Heavy Atoms | 24 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 202805-08-1 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)C4=CC=CC(=C4)C(=O)O |
| InChIKey | YGIZOHPUZJDOSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)benzoic acid (CAS 202805-08-1), with molecular formula C19H11NO4 and molecular weight 317.07 g/mol. IUPAC: 3-(1,3-dioxobenzo[de]isoquinolin-2-yl)benzoic acid.
Chemical Property Profile of 3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)benzoic acid
Property Insights of 3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)benzoic acid
The XLogP value of 3.2 indicates that 3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)benzoic acid. Following Lipinski's Rule of Five, 3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)benzoic acid has 1 hydrogen bond donor(s) and 4 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 3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)benzoic acid?
The CAS number of 3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)benzoic acid is 202805-08-1.
What is the molecular formula of 3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)benzoic acid?
The molecular formula of 3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)benzoic acid is C19H11NO4.
What is the molecular weight of 3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)benzoic acid?
The molecular weight of 3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)benzoic acid is 317.07 g/mol.
Where can I buy 3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)benzoic acid?
You can request a quote for 3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.