![1,3-Dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid structure](/static/products/2471/247128-17-2.webp)
1,3-Dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid
TL;DR: 1,3-Dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid (CAS 247128-17-2) is a chemical compound with molecular formula C13H7NO4 and molecular weight 241.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid
Also Known As: 1,3-Dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid, BAS 00384083, 4-Carboxy-1,8-naphthalenedicarboximide, 1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid, 2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-8-carboxylic acid
| Molecular Formula | C13H7NO4 |
|---|---|
| Molecular Weight | 241.04 g/mol |
| LogP | 1.4216 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.0375 |
| Heavy Atoms | 18 |
| Complexity | 712.8438 |
Chemical Identifiers
| CAS Number | 247128-17-2 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=C2C(=C1)C(=O)NC3=O)C(=O)O |
Product Overview
1,3-Dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid (CAS 247128-17-2), with molecular formula C13H7NO4 and molecular weight 241.04 g/mol. IUPAC: 1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid.
Chemical Property Profile of 1,3-Dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid
Property Insights of 1,3-Dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid
The XLogP value of 1.4216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid. Following Lipinski's Rule of Five, 1,3-Dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid has 2 hydrogen bond donor(s) and 3 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 1,3-Dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid?
The CAS number of 1,3-Dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid is 247128-17-2.
What is the molecular formula of 1,3-Dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid?
The molecular formula of 1,3-Dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid is C13H7NO4.
What is the molecular weight of 1,3-Dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid?
The molecular weight of 1,3-Dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid is 241.04 g/mol.
Where can I buy 1,3-Dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid?
You can request a quote for 1,3-Dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.