6-Cyano-5-methyl-9-nitrobenzimidazo(1,2-B)isoquinolin-11(5H)-one
TL;DR: 6-Cyano-5-methyl-9-nitrobenzimidazo(1,2-B)isoquinolin-11(5H)-one (CAS 128505-80-6) is a chemical compound with molecular formula C17H10N4O3 and molecular weight 318.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-9-nitro-11-oxobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
Also Known As: NCI60_033305, 5-methyl-9-nitro-11-oxo-5,11-dihydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile, 6-cyano-5-methyl-9-nitrobenzimidazo(1,2-b)isoquinolin-11(5h)-one, 5-methyl-9-nitro-11-oxo-benzimidazolo[1,2-b]isoquinoline-6-carbonitrile, 5-methyl-9-nitro-11-oxobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
| Molecular Formula | C17H10N4O3 |
|---|---|
| Molecular Weight | 318.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 318.0753 |
| Heavy Atoms | 24 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 128505-80-6 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N3C1=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C#N |
| InChIKey | JAQFLNOFBUJPLG-UHFFFAOYSA-N |
Product Overview
6-Cyano-5-methyl-9-nitrobenzimidazo(1,2-B)isoquinolin-11(5H)-one (CAS 128505-80-6), with molecular formula C17H10N4O3 and molecular weight 318.08 g/mol. IUPAC: 5-methyl-9-nitro-11-oxobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile.
Chemical Property Profile of 6-Cyano-5-methyl-9-nitrobenzimidazo(1,2-B)isoquinolin-11(5H)-one
Property Insights of 6-Cyano-5-methyl-9-nitrobenzimidazo(1,2-B)isoquinolin-11(5H)-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Cyano-5-methyl-9-nitrobenzimidazo(1,2-B)isoquinolin-11(5H)-one. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Cyano-5-methyl-9-nitrobenzimidazo(1,2-B)isoquinolin-11(5H)-one. Following Lipinski's Rule of Five, 6-Cyano-5-methyl-9-nitrobenzimidazo(1,2-B)isoquinolin-11(5H)-one has 0 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 6-Cyano-5-methyl-9-nitrobenzimidazo(1,2-B)isoquinolin-11(5H)-one?
The CAS number of 6-Cyano-5-methyl-9-nitrobenzimidazo(1,2-B)isoquinolin-11(5H)-one is 128505-80-6.
What is the molecular formula of 6-Cyano-5-methyl-9-nitrobenzimidazo(1,2-B)isoquinolin-11(5H)-one?
The molecular formula of 6-Cyano-5-methyl-9-nitrobenzimidazo(1,2-B)isoquinolin-11(5H)-one is C17H10N4O3.
What is the molecular weight of 6-Cyano-5-methyl-9-nitrobenzimidazo(1,2-B)isoquinolin-11(5H)-one?
The molecular weight of 6-Cyano-5-methyl-9-nitrobenzimidazo(1,2-B)isoquinolin-11(5H)-one is 318.08 g/mol.
Where can I buy 6-Cyano-5-methyl-9-nitrobenzimidazo(1,2-B)isoquinolin-11(5H)-one?
You can request a quote for 6-Cyano-5-methyl-9-nitrobenzimidazo(1,2-B)isoquinolin-11(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Cyano-5-methyl-9-nitrobenzimidazo(1,2-B)isoquinolin-11(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Cyano-5-methyl-9-nitrobenzimidazo(1,2-B)isoquinolin-11(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.