![11-cyano-7-oxo-7H-benzimidazo[2,1-a]benzo[de]isoquinoline-3,4-dicarboxylic acid structure](/static/products/5223/52239-20-0.webp)
11-cyano-7-oxo-7H-benzimidazo[2,1-a]benzo[de]isoquinoline-3,4-dicarboxylic acid
TL;DR: 11-cyano-7-oxo-7H-benzimidazo[2,1-a]benzo[de]isoquinoline-3,4-dicarboxylic acid (CAS 52239-20-0) is a chemical compound with molecular formula C21H9N3O5 and molecular weight 383.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-cyano-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4(9),5,7,12,14,16,18-nonaene-15,17-dicarboxylic acid
Also Known As: ChemDiv1_019544, F0020-1971, 11-cyano-7-oxo-7H-benzimidazo[2,1-a]benzo[de]isoquinoline-3,4-dicarboxylic acid, 11-cyano-7-oxo-7H-benzo[de]benzo[4,5]imidazo[2,1-a]isoquinoline-3,4-dicarboxylic acid, 6-cyano-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4(9),5,7,12,14,16,18-nonaene-15,17-dicarboxylic acid
| Molecular Formula | C21H9N3O5 |
|---|---|
| Molecular Weight | 383.05 g/mol |
| LogP | 2.85998 |
| Topological Polar Surface Area | 132.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 383.05423 |
| Heavy Atoms | 29 |
| Complexity | 1622.3561 |
Chemical Identifiers
| CAS Number | 52239-20-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1C#N)N=C3N2C(=O)C4=CC=C(C5=C(C=CC3=C45)C(=O)O)C(=O)O |
Product Overview
11-cyano-7-oxo-7H-benzimidazo[2,1-a]benzo[de]isoquinoline-3,4-dicarboxylic acid (CAS 52239-20-0), with molecular formula C21H9N3O5 and molecular weight 383.05 g/mol. IUPAC: 6-cyano-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4(9),5,7,12,14,16,18-nonaene-15,17-dicarboxylic acid.
Chemical Property Profile of 11-cyano-7-oxo-7H-benzimidazo[2,1-a]benzo[de]isoquinoline-3,4-dicarboxylic acid
Property Insights of 11-cyano-7-oxo-7H-benzimidazo[2,1-a]benzo[de]isoquinoline-3,4-dicarboxylic acid
The XLogP value of 2.85998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-cyano-7-oxo-7H-benzimidazo[2,1-a]benzo[de]isoquinoline-3,4-dicarboxylic acid. The TPSA of 132.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-cyano-7-oxo-7H-benzimidazo[2,1-a]benzo[de]isoquinoline-3,4-dicarboxylic acid. Following Lipinski's Rule of Five, 11-cyano-7-oxo-7H-benzimidazo[2,1-a]benzo[de]isoquinoline-3,4-dicarboxylic acid has 2 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 11-cyano-7-oxo-7H-benzimidazo[2,1-a]benzo[de]isoquinoline-3,4-dicarboxylic acid?
The CAS number of 11-cyano-7-oxo-7H-benzimidazo[2,1-a]benzo[de]isoquinoline-3,4-dicarboxylic acid is 52239-20-0.
What is the molecular formula of 11-cyano-7-oxo-7H-benzimidazo[2,1-a]benzo[de]isoquinoline-3,4-dicarboxylic acid?
The molecular formula of 11-cyano-7-oxo-7H-benzimidazo[2,1-a]benzo[de]isoquinoline-3,4-dicarboxylic acid is C21H9N3O5.
What is the molecular weight of 11-cyano-7-oxo-7H-benzimidazo[2,1-a]benzo[de]isoquinoline-3,4-dicarboxylic acid?
The molecular weight of 11-cyano-7-oxo-7H-benzimidazo[2,1-a]benzo[de]isoquinoline-3,4-dicarboxylic acid is 383.05 g/mol.
Where can I buy 11-cyano-7-oxo-7H-benzimidazo[2,1-a]benzo[de]isoquinoline-3,4-dicarboxylic acid?
You can request a quote for 11-cyano-7-oxo-7H-benzimidazo[2,1-a]benzo[de]isoquinoline-3,4-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-cyano-7-oxo-7H-benzimidazo[2,1-a]benzo[de]isoquinoline-3,4-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 11-cyano-7-oxo-7H-benzimidazo[2,1-a]benzo[de]isoquinoline-3,4-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.