2-Chloro-3-(chloromethyl)-7-(methylsulfanyl)quinoline
TL;DR: 2-Chloro-3-(chloromethyl)-7-(methylsulfanyl)quinoline (CAS 794582-34-6) is a chemical compound with molecular formula C11H9Cl2NS and molecular weight 256.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-(chloromethyl)-7-methylsulfanylquinoline
Also Known As: 2-chloro-3-(chloromethyl)-7-(methylsulfanyl)quinoline, 2-chloro-3-(chloromethyl)-7-(methylthio)quinoline, 2-chloro-3-(chloromethyl)-7-methylsulfanylquinoline, C11H9Cl2NS
| Molecular Formula | C11H9Cl2NS |
|---|---|
| Molecular Weight | 256.98 g/mol |
| LogP | 4.3489 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.98328 |
| Heavy Atoms | 15 |
| Complexity | 499.15704 |
Chemical Identifiers
| CAS Number | 794582-34-6 |
|---|---|
| SMILES | CSC1=CC2=NC(=C(C=C2C=C1)CCl)Cl |
Product Overview
2-Chloro-3-(chloromethyl)-7-(methylsulfanyl)quinoline (CAS 794582-34-6), with molecular formula C11H9Cl2NS and molecular weight 256.98 g/mol. IUPAC: 2-chloro-3-(chloromethyl)-7-methylsulfanylquinoline.
Chemical Property Profile of 2-Chloro-3-(chloromethyl)-7-(methylsulfanyl)quinoline
Property Insights of 2-Chloro-3-(chloromethyl)-7-(methylsulfanyl)quinoline
The XLogP value of 4.3489 indicates that 2-Chloro-3-(chloromethyl)-7-(methylsulfanyl)quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 2-Chloro-3-(chloromethyl)-7-(methylsulfanyl)quinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-(chloromethyl)-7-(methylsulfanyl)quinoline has 0 hydrogen bond donor(s) and 2 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 2-Chloro-3-(chloromethyl)-7-(methylsulfanyl)quinoline?
The CAS number of 2-Chloro-3-(chloromethyl)-7-(methylsulfanyl)quinoline is 794582-34-6.
What is the molecular formula of 2-Chloro-3-(chloromethyl)-7-(methylsulfanyl)quinoline?
The molecular formula of 2-Chloro-3-(chloromethyl)-7-(methylsulfanyl)quinoline is C11H9Cl2NS.
What is the molecular weight of 2-Chloro-3-(chloromethyl)-7-(methylsulfanyl)quinoline?
The molecular weight of 2-Chloro-3-(chloromethyl)-7-(methylsulfanyl)quinoline is 256.98 g/mol.
Where can I buy 2-Chloro-3-(chloromethyl)-7-(methylsulfanyl)quinoline?
You can request a quote for 2-Chloro-3-(chloromethyl)-7-(methylsulfanyl)quinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-(chloromethyl)-7-(methylsulfanyl)quinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-(chloromethyl)-7-(methylsulfanyl)quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.