![7-Methyl-5-thioxo-5,7-dihydrobenzimidazo[1,2-a]quinoline-6-carbonitrile structure](/static/products/881/88172-40-1.png)
7-Methyl-5-thioxo-5,7-dihydrobenzimidazo[1,2-a]quinoline-6-carbonitrile
TL;DR: 7-Methyl-5-thioxo-5,7-dihydrobenzimidazo[1,2-a]quinoline-6-carbonitrile (CAS 88172-40-1) is a chemical compound with molecular formula C17H11N3S and molecular weight 289.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-5-sulfanylidenebenzimidazolo[1,2-a]quinoline-6-carbonitrile
Also Known As: NCI60_033306, 7-methyl-5-thioxo-5,7-dihydrobenzimidazo[1,2-a]quinoline-6-carbonitrile, 7-methyl-5-thioxo-benzimidazolo[1,2-a]quinoline-6-carbonitrile, 7-methyl-5-sulfanylidenebenzimidazolo[1,2-a]quinoline-6-carbonitrile, 7-methyl-5-thioxo-5,7-dihydrobenzo[4,5]imidazo[1,2-a]quinoline-6-carbonitrile
| Molecular Formula | C17H11N3S |
|---|---|
| Molecular Weight | 289.07 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 289.06738 |
| Heavy Atoms | 21 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 88172-40-1 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N3C1=C(C(=S)C4=CC=CC=C43)C#N |
| InChIKey | HKUHHLUMELAXPT-UHFFFAOYSA-N |
Product Overview
7-Methyl-5-thioxo-5,7-dihydrobenzimidazo[1,2-a]quinoline-6-carbonitrile (CAS 88172-40-1), with molecular formula C17H11N3S and molecular weight 289.07 g/mol. IUPAC: 7-methyl-5-sulfanylidenebenzimidazolo[1,2-a]quinoline-6-carbonitrile.
Chemical Property Profile of 7-Methyl-5-thioxo-5,7-dihydrobenzimidazo[1,2-a]quinoline-6-carbonitrile
Property Insights of 7-Methyl-5-thioxo-5,7-dihydrobenzimidazo[1,2-a]quinoline-6-carbonitrile
The XLogP value of 3.8 indicates that 7-Methyl-5-thioxo-5,7-dihydrobenzimidazo[1,2-a]quinoline-6-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Methyl-5-thioxo-5,7-dihydrobenzimidazo[1,2-a]quinoline-6-carbonitrile. Following Lipinski's Rule of Five, 7-Methyl-5-thioxo-5,7-dihydrobenzimidazo[1,2-a]quinoline-6-carbonitrile has 0 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 7-Methyl-5-thioxo-5,7-dihydrobenzimidazo[1,2-a]quinoline-6-carbonitrile?
The CAS number of 7-Methyl-5-thioxo-5,7-dihydrobenzimidazo[1,2-a]quinoline-6-carbonitrile is 88172-40-1.
What is the molecular formula of 7-Methyl-5-thioxo-5,7-dihydrobenzimidazo[1,2-a]quinoline-6-carbonitrile?
The molecular formula of 7-Methyl-5-thioxo-5,7-dihydrobenzimidazo[1,2-a]quinoline-6-carbonitrile is C17H11N3S.
What is the molecular weight of 7-Methyl-5-thioxo-5,7-dihydrobenzimidazo[1,2-a]quinoline-6-carbonitrile?
The molecular weight of 7-Methyl-5-thioxo-5,7-dihydrobenzimidazo[1,2-a]quinoline-6-carbonitrile is 289.07 g/mol.
Where can I buy 7-Methyl-5-thioxo-5,7-dihydrobenzimidazo[1,2-a]quinoline-6-carbonitrile?
You can request a quote for 7-Methyl-5-thioxo-5,7-dihydrobenzimidazo[1,2-a]quinoline-6-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methyl-5-thioxo-5,7-dihydrobenzimidazo[1,2-a]quinoline-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7-Methyl-5-thioxo-5,7-dihydrobenzimidazo[1,2-a]quinoline-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.