4-Cinnolinethiol, 6,7-dimethoxy-
TL;DR: 4-Cinnolinethiol, 6,7-dimethoxy- (CAS 5448-46-4) is a chemical compound with molecular formula C10H10N2O2S and molecular weight 222.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-1H-cinnoline-4-thione
Also Known As: 4-Cinnolinethiol, 6,7-dimethoxy-, 6,7-dimethoxycinnoline-4-thiol, 6,7-dimethoxy-1H-cinnoline-4-thione, 4-Cinnolinethiol,6,7-dimethoxy, 6,7-DIMETHOXY-4-CINNOLINETHIOL
| Molecular Formula | C10H10N2O2S |
|---|---|
| Molecular Weight | 222.05 g/mol |
| LogP | 2.30959 |
| Topological Polar Surface Area | 47.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.0463 |
| Heavy Atoms | 15 |
| Complexity | 550.60394 |
Chemical Identifiers
| CAS Number | 5448-46-4 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=S)C=NN2)OC |
Product Overview
4-Cinnolinethiol, 6,7-dimethoxy- (CAS 5448-46-4), with molecular formula C10H10N2O2S and molecular weight 222.05 g/mol. IUPAC: 6,7-dimethoxy-1H-cinnoline-4-thione.
Chemical Property Profile of 4-Cinnolinethiol, 6,7-dimethoxy-
Property Insights of 4-Cinnolinethiol, 6,7-dimethoxy-
The XLogP value of 2.30959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cinnolinethiol, 6,7-dimethoxy-. With a topological polar surface area (TPSA) of 47.14 Ų, 4-Cinnolinethiol, 6,7-dimethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cinnolinethiol, 6,7-dimethoxy- has 1 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 4-Cinnolinethiol, 6,7-dimethoxy-?
The CAS number of 4-Cinnolinethiol, 6,7-dimethoxy- is 5448-46-4.
What is the molecular formula of 4-Cinnolinethiol, 6,7-dimethoxy-?
The molecular formula of 4-Cinnolinethiol, 6,7-dimethoxy- is C10H10N2O2S.
What is the molecular weight of 4-Cinnolinethiol, 6,7-dimethoxy-?
The molecular weight of 4-Cinnolinethiol, 6,7-dimethoxy- is 222.05 g/mol.
Where can I buy 4-Cinnolinethiol, 6,7-dimethoxy-?
You can request a quote for 4-Cinnolinethiol, 6,7-dimethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cinnolinethiol, 6,7-dimethoxy-?
Yes, KEHONG BIO provides custom synthesis services for 4-Cinnolinethiol, 6,7-dimethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.