6,7-Dimethoxy-4-(methylthio)cinnoline
TL;DR: 6,7-Dimethoxy-4-(methylthio)cinnoline (CAS 81566-77-0) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-4-methylsulfanylcinnoline
Also Known As: 6,7-Dimethoxy-4-(methylthio)cinnoline, 6,7-dimethoxy-4-methylsulfanylcinnoline, 6,7-dimethoxy-4-methylsulfanyl-cinnoline, 6,7-Dimethoxy-4-methylmercapto-cinnolin, CINNOLINE, 6,7-DIMETHOXY-4-(METHYLTHIO)-
| Molecular Formula | C11H12N2O2S |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 69.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.06195 |
| Heavy Atoms | 16 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 81566-77-0 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=CN=N2)SC)OC |
| InChIKey | VNEJBDYIGYWEPU-UHFFFAOYSA-N |
Product Overview
6,7-Dimethoxy-4-(methylthio)cinnoline (CAS 81566-77-0), with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol. IUPAC: 6,7-dimethoxy-4-methylsulfanylcinnoline.
Chemical Property Profile of 6,7-Dimethoxy-4-(methylthio)cinnoline
Property Insights of 6,7-Dimethoxy-4-(methylthio)cinnoline
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Dimethoxy-4-(methylthio)cinnoline. The TPSA of 69.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-Dimethoxy-4-(methylthio)cinnoline. Following Lipinski's Rule of Five, 6,7-Dimethoxy-4-(methylthio)cinnoline 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 6,7-Dimethoxy-4-(methylthio)cinnoline?
The CAS number of 6,7-Dimethoxy-4-(methylthio)cinnoline is 81566-77-0.
What is the molecular formula of 6,7-Dimethoxy-4-(methylthio)cinnoline?
The molecular formula of 6,7-Dimethoxy-4-(methylthio)cinnoline is C11H12N2O2S.
What is the molecular weight of 6,7-Dimethoxy-4-(methylthio)cinnoline?
The molecular weight of 6,7-Dimethoxy-4-(methylthio)cinnoline is 236.06 g/mol.
Where can I buy 6,7-Dimethoxy-4-(methylthio)cinnoline?
You can request a quote for 6,7-Dimethoxy-4-(methylthio)cinnoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Dimethoxy-4-(methylthio)cinnoline?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dimethoxy-4-(methylthio)cinnoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.