3-(4-Chlorophenyl)-6-((4-nitrobenzyl)thio)pyridazine
TL;DR: 3-(4-Chlorophenyl)-6-((4-nitrobenzyl)thio)pyridazine (CAS 896053-03-5) is a chemical compound with molecular formula C17H12ClN3O2S and molecular weight 357.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine
Also Known As: 3-(4-chlorophenyl)-6-((4-nitrobenzyl)thio)pyridazine, 3-(4-chlorophenyl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine, 3-(4-chlorophenyl)-6-{[(4-nitrophenyl)methyl]sulfanyl}pyridazine, F1899-0191
| Molecular Formula | C17H12ClN3O2S |
|---|---|
| Molecular Weight | 357.03 g/mol |
| LogP | 4.9975 |
| Topological Polar Surface Area | 68.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.03387 |
| Heavy Atoms | 24 |
| Complexity | 837.2194 |
Chemical Identifiers
| CAS Number | 896053-03-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NN=C(C=C2)C3=CC=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
3-(4-Chlorophenyl)-6-((4-nitrobenzyl)thio)pyridazine (CAS 896053-03-5), with molecular formula C17H12ClN3O2S and molecular weight 357.03 g/mol. IUPAC: 3-(4-chlorophenyl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine.
Chemical Property Profile of 3-(4-Chlorophenyl)-6-((4-nitrobenzyl)thio)pyridazine
Property Insights of 3-(4-Chlorophenyl)-6-((4-nitrobenzyl)thio)pyridazine
The XLogP value of 4.9975 indicates that 3-(4-Chlorophenyl)-6-((4-nitrobenzyl)thio)pyridazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Chlorophenyl)-6-((4-nitrobenzyl)thio)pyridazine. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-6-((4-nitrobenzyl)thio)pyridazine 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 3-(4-Chlorophenyl)-6-((4-nitrobenzyl)thio)pyridazine?
The CAS number of 3-(4-Chlorophenyl)-6-((4-nitrobenzyl)thio)pyridazine is 896053-03-5.
What is the molecular formula of 3-(4-Chlorophenyl)-6-((4-nitrobenzyl)thio)pyridazine?
The molecular formula of 3-(4-Chlorophenyl)-6-((4-nitrobenzyl)thio)pyridazine is C17H12ClN3O2S.
What is the molecular weight of 3-(4-Chlorophenyl)-6-((4-nitrobenzyl)thio)pyridazine?
The molecular weight of 3-(4-Chlorophenyl)-6-((4-nitrobenzyl)thio)pyridazine is 357.03 g/mol.
Where can I buy 3-(4-Chlorophenyl)-6-((4-nitrobenzyl)thio)pyridazine?
You can request a quote for 3-(4-Chlorophenyl)-6-((4-nitrobenzyl)thio)pyridazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)-6-((4-nitrobenzyl)thio)pyridazine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-6-((4-nitrobenzyl)thio)pyridazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.