2-(1,3-Dioxo-1H,3H-benzo(DE)isoquinolin-2-YL)-benzoic acid
TL;DR: 2-(1,3-Dioxo-1H,3H-benzo(DE)isoquinolin-2-YL)-benzoic acid (CAS 56813-55-9) 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.
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)benzoic acid
Also Known As: 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid, BAS 00114826, J2.988.457I, 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)benzoic acid, 2-(1,3-dioxo-1h,3h-benzo(de)isoquinolin-2-yl)-benzoic acid
| 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 | 56813-55-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)N2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O |
| InChIKey | ZUTNAGBPVPAWSD-UHFFFAOYSA-N |
Product Overview
2-(1,3-Dioxo-1H,3H-benzo(DE)isoquinolin-2-YL)-benzoic acid (CAS 56813-55-9), with molecular formula C19H11NO4 and molecular weight 317.07 g/mol. IUPAC: 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)benzoic acid.
Chemical Property Profile of 2-(1,3-Dioxo-1H,3H-benzo(DE)isoquinolin-2-YL)-benzoic acid
Property Insights of 2-(1,3-Dioxo-1H,3H-benzo(DE)isoquinolin-2-YL)-benzoic acid
The XLogP value of 3.2 indicates that 2-(1,3-Dioxo-1H,3H-benzo(DE)isoquinolin-2-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 2-(1,3-Dioxo-1H,3H-benzo(DE)isoquinolin-2-YL)-benzoic acid. Following Lipinski's Rule of Five, 2-(1,3-Dioxo-1H,3H-benzo(DE)isoquinolin-2-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 2-(1,3-Dioxo-1H,3H-benzo(DE)isoquinolin-2-YL)-benzoic acid?
The CAS number of 2-(1,3-Dioxo-1H,3H-benzo(DE)isoquinolin-2-YL)-benzoic acid is 56813-55-9.
What is the molecular formula of 2-(1,3-Dioxo-1H,3H-benzo(DE)isoquinolin-2-YL)-benzoic acid?
The molecular formula of 2-(1,3-Dioxo-1H,3H-benzo(DE)isoquinolin-2-YL)-benzoic acid is C19H11NO4.
What is the molecular weight of 2-(1,3-Dioxo-1H,3H-benzo(DE)isoquinolin-2-YL)-benzoic acid?
The molecular weight of 2-(1,3-Dioxo-1H,3H-benzo(DE)isoquinolin-2-YL)-benzoic acid is 317.07 g/mol.
Where can I buy 2-(1,3-Dioxo-1H,3H-benzo(DE)isoquinolin-2-YL)-benzoic acid?
You can request a quote for 2-(1,3-Dioxo-1H,3H-benzo(DE)isoquinolin-2-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 2-(1,3-Dioxo-1H,3H-benzo(DE)isoquinolin-2-YL)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dioxo-1H,3H-benzo(DE)isoquinolin-2-YL)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.