4-(2-((3,4-Dichlorobenzyl)thio)ethyl)pyridine
TL;DR: 4-(2-((3,4-Dichlorobenzyl)thio)ethyl)pyridine (CAS 6297-39-8) is a chemical compound with molecular formula C14H13Cl2NS and molecular weight 297.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]pyridine
Also Known As: NCIStruc1_001059, NCIStruc2_000760, NCI60_001491, 4-(2-((3,4-dichlorobenzyl)thio)ethyl)pyridine, 4-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]pyridine
| Molecular Formula | C14H13Cl2NS |
|---|---|
| Molecular Weight | 297.01 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 38.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.0146 |
| Heavy Atoms | 18 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 6297-39-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1CSCCC2=CC=NC=C2)Cl)Cl |
| InChIKey | HCAWEHHJTCEEPF-UHFFFAOYSA-N |
Product Overview
4-(2-((3,4-Dichlorobenzyl)thio)ethyl)pyridine (CAS 6297-39-8), with molecular formula C14H13Cl2NS and molecular weight 297.01 g/mol. IUPAC: 4-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]pyridine.
Chemical Property Profile of 4-(2-((3,4-Dichlorobenzyl)thio)ethyl)pyridine
Property Insights of 4-(2-((3,4-Dichlorobenzyl)thio)ethyl)pyridine
The XLogP value of 4.5 indicates that 4-(2-((3,4-Dichlorobenzyl)thio)ethyl)pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.2 Ų, 4-(2-((3,4-Dichlorobenzyl)thio)ethyl)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-((3,4-Dichlorobenzyl)thio)ethyl)pyridine 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 4-(2-((3,4-Dichlorobenzyl)thio)ethyl)pyridine?
The CAS number of 4-(2-((3,4-Dichlorobenzyl)thio)ethyl)pyridine is 6297-39-8.
What is the molecular formula of 4-(2-((3,4-Dichlorobenzyl)thio)ethyl)pyridine?
The molecular formula of 4-(2-((3,4-Dichlorobenzyl)thio)ethyl)pyridine is C14H13Cl2NS.
What is the molecular weight of 4-(2-((3,4-Dichlorobenzyl)thio)ethyl)pyridine?
The molecular weight of 4-(2-((3,4-Dichlorobenzyl)thio)ethyl)pyridine is 297.01 g/mol.
Where can I buy 4-(2-((3,4-Dichlorobenzyl)thio)ethyl)pyridine?
You can request a quote for 4-(2-((3,4-Dichlorobenzyl)thio)ethyl)pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-((3,4-Dichlorobenzyl)thio)ethyl)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-((3,4-Dichlorobenzyl)thio)ethyl)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.