4,6-Bis((2-chlorobenzyl)thio)cinnoline
TL;DR: 4,6-Bis((2-chlorobenzyl)thio)cinnoline (CAS 873-40-5) is a chemical compound with molecular formula C22H16Cl2N2S2 and molecular weight 442.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-bis[(2-chlorophenyl)methylsulfanyl]cinnoline
Also Known As: 4,6-Bis((2-chlorobenzyl)thio)cinnoline, 4,6-bis[(2-chlorophenyl)methylsulfanyl]cinnoline, 4,6-Bis[[(2-chlorophenyl)methyl]thio]cinnoline, 4,6-Bis{[(2-chlorophenyl)methyl]sulfanyl}cinnoline, Cinnoline, 4,6-bis[[(2-chlorophenyl)methyl]thio]-
| Molecular Formula | C22H16Cl2N2S2 |
|---|---|
| Molecular Weight | 442.01 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.01318 |
| Heavy Atoms | 28 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 873-40-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=CC3=C(C=C2)N=NC=C3SCC4=CC=CC=C4Cl)Cl |
| InChIKey | HXTRNHWXLRJMDK-UHFFFAOYSA-N |
Product Overview
4,6-Bis((2-chlorobenzyl)thio)cinnoline (CAS 873-40-5), with molecular formula C22H16Cl2N2S2 and molecular weight 442.01 g/mol. IUPAC: 4,6-bis[(2-chlorophenyl)methylsulfanyl]cinnoline.
Chemical Property Profile of 4,6-Bis((2-chlorobenzyl)thio)cinnoline
Property Insights of 4,6-Bis((2-chlorobenzyl)thio)cinnoline
The XLogP value of 6.4 indicates that 4,6-Bis((2-chlorobenzyl)thio)cinnoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Bis((2-chlorobenzyl)thio)cinnoline. Following Lipinski's Rule of Five, 4,6-Bis((2-chlorobenzyl)thio)cinnoline has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,6-Bis((2-chlorobenzyl)thio)cinnoline?
The CAS number of 4,6-Bis((2-chlorobenzyl)thio)cinnoline is 873-40-5.
What is the molecular formula of 4,6-Bis((2-chlorobenzyl)thio)cinnoline?
The molecular formula of 4,6-Bis((2-chlorobenzyl)thio)cinnoline is C22H16Cl2N2S2.
What is the molecular weight of 4,6-Bis((2-chlorobenzyl)thio)cinnoline?
The molecular weight of 4,6-Bis((2-chlorobenzyl)thio)cinnoline is 442.01 g/mol.
Where can I buy 4,6-Bis((2-chlorobenzyl)thio)cinnoline?
You can request a quote for 4,6-Bis((2-chlorobenzyl)thio)cinnoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Bis((2-chlorobenzyl)thio)cinnoline?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Bis((2-chlorobenzyl)thio)cinnoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.