4-((2,4-Dichlorobenzyl)thio)-6,7-dimethoxycinnoline
TL;DR: 4-((2,4-Dichlorobenzyl)thio)-6,7-dimethoxycinnoline (CAS 60112-16-5) is a chemical compound with molecular formula C17H14Cl2N2O2S and molecular weight 380.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,4-dichlorophenyl)methylsulfanyl]-6,7-dimethoxycinnoline
Also Known As: 4-((2,4-Dichlorobenzyl)thio)-6,7-dimethoxycinnoline, 4-[(2,4-dichlorophenyl)methylsulfanyl]-6,7-dimethoxycinnoline, 4-(2,4-dichloro-benzylsulfanyl)-6,7-dimethoxy-cinnoline, 4-[[(2,4-Dichlorophenyl)methyl]thio]-6,7-dimethoxycinnoline, 4-[(2,4-dichlorophenyl)methylsulfanyl]-6,7-dimethoxy-cinnoline
| Molecular Formula | C17H14Cl2N2O2S |
|---|---|
| Molecular Weight | 380.02 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 69.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.0153 |
| Heavy Atoms | 24 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 60112-16-5 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=CN=N2)SCC3=C(C=C(C=C3)Cl)Cl)OC |
| InChIKey | SIPXDXODSCFWAY-UHFFFAOYSA-N |
Product Overview
4-((2,4-Dichlorobenzyl)thio)-6,7-dimethoxycinnoline (CAS 60112-16-5), with molecular formula C17H14Cl2N2O2S and molecular weight 380.02 g/mol. IUPAC: 4-[(2,4-dichlorophenyl)methylsulfanyl]-6,7-dimethoxycinnoline.
Chemical Property Profile of 4-((2,4-Dichlorobenzyl)thio)-6,7-dimethoxycinnoline
Property Insights of 4-((2,4-Dichlorobenzyl)thio)-6,7-dimethoxycinnoline
The XLogP value of 4.4 indicates that 4-((2,4-Dichlorobenzyl)thio)-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-((2,4-Dichlorobenzyl)thio)-6,7-dimethoxycinnoline. Following Lipinski's Rule of Five, 4-((2,4-Dichlorobenzyl)thio)-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-((2,4-Dichlorobenzyl)thio)-6,7-dimethoxycinnoline?
The CAS number of 4-((2,4-Dichlorobenzyl)thio)-6,7-dimethoxycinnoline is 60112-16-5.
What is the molecular formula of 4-((2,4-Dichlorobenzyl)thio)-6,7-dimethoxycinnoline?
The molecular formula of 4-((2,4-Dichlorobenzyl)thio)-6,7-dimethoxycinnoline is C17H14Cl2N2O2S.
What is the molecular weight of 4-((2,4-Dichlorobenzyl)thio)-6,7-dimethoxycinnoline?
The molecular weight of 4-((2,4-Dichlorobenzyl)thio)-6,7-dimethoxycinnoline is 380.02 g/mol.
Where can I buy 4-((2,4-Dichlorobenzyl)thio)-6,7-dimethoxycinnoline?
You can request a quote for 4-((2,4-Dichlorobenzyl)thio)-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-((2,4-Dichlorobenzyl)thio)-6,7-dimethoxycinnoline?
Yes, KEHONG BIO provides custom synthesis services for 4-((2,4-Dichlorobenzyl)thio)-6,7-dimethoxycinnoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.