![7-oxo-7H-benzo[de]pyrazolo[5,1-a]isoquinoline-10,11-dicarboxylic acid structure](/static/products/4033/40331-21-3.webp)
7-oxo-7H-benzo[de]pyrazolo[5,1-a]isoquinoline-10,11-dicarboxylic acid
TL;DR: 7-oxo-7H-benzo[de]pyrazolo[5,1-a]isoquinoline-10,11-dicarboxylic acid (CAS 40331-21-3) is a chemical compound with molecular formula C16H8N2O5 and molecular weight 308.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15-oxo-13,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8,10,12-heptaene-11,12-dicarboxylic acid
Also Known As: 7-oxo-7H-benzo(de)pyrazolo[5,1-a]isoquinoline-10,11-dicarbox, 7-oxo-7H-benzo[de]pyrazolo[5,1-a]isoquinoline-10,11-dicarboxylic acid
| Molecular Formula | C16H8N2O5 |
|---|---|
| Molecular Weight | 308.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.04333 |
| Heavy Atoms | 23 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 40331-21-3 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C4=C(C(=NN4C(=O)C3=CC=C2)C(=O)O)C(=O)O |
| InChIKey | GIHFITKKGLIRLP-UHFFFAOYSA-N |
Product Overview
7-oxo-7H-benzo[de]pyrazolo[5,1-a]isoquinoline-10,11-dicarboxylic acid (CAS 40331-21-3), with molecular formula C16H8N2O5 and molecular weight 308.04 g/mol. IUPAC: 15-oxo-13,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8,10,12-heptaene-11,12-dicarboxylic acid.
Chemical Property Profile of 7-oxo-7H-benzo[de]pyrazolo[5,1-a]isoquinoline-10,11-dicarboxylic acid
Property Insights of 7-oxo-7H-benzo[de]pyrazolo[5,1-a]isoquinoline-10,11-dicarboxylic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-oxo-7H-benzo[de]pyrazolo[5,1-a]isoquinoline-10,11-dicarboxylic acid. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-oxo-7H-benzo[de]pyrazolo[5,1-a]isoquinoline-10,11-dicarboxylic acid. Following Lipinski's Rule of Five, 7-oxo-7H-benzo[de]pyrazolo[5,1-a]isoquinoline-10,11-dicarboxylic 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 7-oxo-7H-benzo[de]pyrazolo[5,1-a]isoquinoline-10,11-dicarboxylic acid?
The CAS number of 7-oxo-7H-benzo[de]pyrazolo[5,1-a]isoquinoline-10,11-dicarboxylic acid is 40331-21-3.
What is the molecular formula of 7-oxo-7H-benzo[de]pyrazolo[5,1-a]isoquinoline-10,11-dicarboxylic acid?
The molecular formula of 7-oxo-7H-benzo[de]pyrazolo[5,1-a]isoquinoline-10,11-dicarboxylic acid is C16H8N2O5.
What is the molecular weight of 7-oxo-7H-benzo[de]pyrazolo[5,1-a]isoquinoline-10,11-dicarboxylic acid?
The molecular weight of 7-oxo-7H-benzo[de]pyrazolo[5,1-a]isoquinoline-10,11-dicarboxylic acid is 308.04 g/mol.
Where can I buy 7-oxo-7H-benzo[de]pyrazolo[5,1-a]isoquinoline-10,11-dicarboxylic acid?
You can request a quote for 7-oxo-7H-benzo[de]pyrazolo[5,1-a]isoquinoline-10,11-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-oxo-7H-benzo[de]pyrazolo[5,1-a]isoquinoline-10,11-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-oxo-7H-benzo[de]pyrazolo[5,1-a]isoquinoline-10,11-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.