4-(Benzylthio)-6,7-dimethoxycinnoline
TL;DR: 4-(Benzylthio)-6,7-dimethoxycinnoline (CAS 6053-79-8) is a chemical compound with molecular formula C17H16N2O2S and molecular weight 312.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylsulfanyl-6,7-dimethoxycinnoline
Also Known As: 4-(Benzylthio)-6,7-dimethoxycinnoline, NCIOpen2_008194, 4-benzylsulfanyl-6,7-dimethoxycinnoline, 4-benzylsulfanyl-6,7-dimethoxy-cinnoline, CINNOLINE, 4-(BENZYLTHIO)-6,7-DIMETHOXY-
| Molecular Formula | C17H16N2O2S |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 69.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.09326 |
| Heavy Atoms | 22 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 6053-79-8 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=CN=N2)SCC3=CC=CC=C3)OC |
| InChIKey | JFNVQDVHUIGOKQ-UHFFFAOYSA-N |
Product Overview
4-(Benzylthio)-6,7-dimethoxycinnoline (CAS 6053-79-8), with molecular formula C17H16N2O2S and molecular weight 312.09 g/mol. IUPAC: 4-benzylsulfanyl-6,7-dimethoxycinnoline.
Chemical Property Profile of 4-(Benzylthio)-6,7-dimethoxycinnoline
Property Insights of 4-(Benzylthio)-6,7-dimethoxycinnoline
The XLogP value of 3.1 indicates that 4-(Benzylthio)-6,7-dimethoxycinnoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Benzylthio)-6,7-dimethoxycinnoline. Following Lipinski's Rule of Five, 4-(Benzylthio)-6,7-dimethoxycinnoline 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 4-(Benzylthio)-6,7-dimethoxycinnoline?
The CAS number of 4-(Benzylthio)-6,7-dimethoxycinnoline is 6053-79-8.
What is the molecular formula of 4-(Benzylthio)-6,7-dimethoxycinnoline?
The molecular formula of 4-(Benzylthio)-6,7-dimethoxycinnoline is C17H16N2O2S.
What is the molecular weight of 4-(Benzylthio)-6,7-dimethoxycinnoline?
The molecular weight of 4-(Benzylthio)-6,7-dimethoxycinnoline is 312.09 g/mol.
Where can I buy 4-(Benzylthio)-6,7-dimethoxycinnoline?
You can request a quote for 4-(Benzylthio)-6,7-dimethoxycinnoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzylthio)-6,7-dimethoxycinnoline?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzylthio)-6,7-dimethoxycinnoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.