3-((2-Chloro-6-fluorobenzyl)thio)-6-(p-tolyl)pyridazine
TL;DR: 3-((2-Chloro-6-fluorobenzyl)thio)-6-(p-tolyl)pyridazine (CAS 896044-07-8) is a chemical compound with molecular formula C18H14ClFN2S and molecular weight 344.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine
Also Known As: F1899-0825, 3-((2-chloro-6-fluorobenzyl)thio)-6-(p-tolyl)pyridazine, 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-(4-methylphenyl)pyridazine, 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine, 3-[(2-chloro-6-fluorophenyl)methylthio]-6-(p-tolyl)pyridazine
| Molecular Formula | C18H14ClFN2S |
|---|---|
| Molecular Weight | 344.06 g/mol |
| LogP | 5.53682 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.05502 |
| Heavy Atoms | 23 |
| Complexity | 784.0055 |
Chemical Identifiers
| CAS Number | 896044-07-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC3=C(C=CC=C3Cl)F |
Product Overview
3-((2-Chloro-6-fluorobenzyl)thio)-6-(p-tolyl)pyridazine (CAS 896044-07-8), with molecular formula C18H14ClFN2S and molecular weight 344.06 g/mol. IUPAC: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine.
Chemical Property Profile of 3-((2-Chloro-6-fluorobenzyl)thio)-6-(p-tolyl)pyridazine
Property Insights of 3-((2-Chloro-6-fluorobenzyl)thio)-6-(p-tolyl)pyridazine
The XLogP value of 5.53682 indicates that 3-((2-Chloro-6-fluorobenzyl)thio)-6-(p-tolyl)pyridazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 3-((2-Chloro-6-fluorobenzyl)thio)-6-(p-tolyl)pyridazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((2-Chloro-6-fluorobenzyl)thio)-6-(p-tolyl)pyridazine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((2-Chloro-6-fluorobenzyl)thio)-6-(p-tolyl)pyridazine?
The CAS number of 3-((2-Chloro-6-fluorobenzyl)thio)-6-(p-tolyl)pyridazine is 896044-07-8.
What is the molecular formula of 3-((2-Chloro-6-fluorobenzyl)thio)-6-(p-tolyl)pyridazine?
The molecular formula of 3-((2-Chloro-6-fluorobenzyl)thio)-6-(p-tolyl)pyridazine is C18H14ClFN2S.
What is the molecular weight of 3-((2-Chloro-6-fluorobenzyl)thio)-6-(p-tolyl)pyridazine?
The molecular weight of 3-((2-Chloro-6-fluorobenzyl)thio)-6-(p-tolyl)pyridazine is 344.06 g/mol.
Where can I buy 3-((2-Chloro-6-fluorobenzyl)thio)-6-(p-tolyl)pyridazine?
You can request a quote for 3-((2-Chloro-6-fluorobenzyl)thio)-6-(p-tolyl)pyridazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-Chloro-6-fluorobenzyl)thio)-6-(p-tolyl)pyridazine?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-Chloro-6-fluorobenzyl)thio)-6-(p-tolyl)pyridazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.