3-((2-Fluorobenzyl)thio)-6-(3-nitrophenyl)pyridazine
TL;DR: 3-((2-Fluorobenzyl)thio)-6-(3-nitrophenyl)pyridazine (CAS 896053-76-2) is a chemical compound with molecular formula C17H12FN3O2S and molecular weight 341.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-fluorophenyl)methylsulfanyl]-6-(3-nitrophenyl)pyridazine
Also Known As: 3-((2-fluorobenzyl)thio)-6-(3-nitrophenyl)pyridazine, 3-{[(2-fluorophenyl)methyl]sulfanyl}-6-(3-nitrophenyl)pyridazine, 3-[(2-fluorophenyl)methylsulfanyl]-6-(3-nitrophenyl)pyridazine, F1899-0531
| Molecular Formula | C17H12FN3O2S |
|---|---|
| Molecular Weight | 341.06 g/mol |
| LogP | 4.4832 |
| Topological Polar Surface Area | 68.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.06342 |
| Heavy Atoms | 24 |
| Complexity | 871.7194 |
Chemical Identifiers
| CAS Number | 896053-76-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NN=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])F |
Product Overview
3-((2-Fluorobenzyl)thio)-6-(3-nitrophenyl)pyridazine (CAS 896053-76-2), with molecular formula C17H12FN3O2S and molecular weight 341.06 g/mol. IUPAC: 3-[(2-fluorophenyl)methylsulfanyl]-6-(3-nitrophenyl)pyridazine.
Chemical Property Profile of 3-((2-Fluorobenzyl)thio)-6-(3-nitrophenyl)pyridazine
Property Insights of 3-((2-Fluorobenzyl)thio)-6-(3-nitrophenyl)pyridazine
The XLogP value of 4.4832 indicates that 3-((2-Fluorobenzyl)thio)-6-(3-nitrophenyl)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-((2-Fluorobenzyl)thio)-6-(3-nitrophenyl)pyridazine. Following Lipinski's Rule of Five, 3-((2-Fluorobenzyl)thio)-6-(3-nitrophenyl)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-((2-Fluorobenzyl)thio)-6-(3-nitrophenyl)pyridazine?
The CAS number of 3-((2-Fluorobenzyl)thio)-6-(3-nitrophenyl)pyridazine is 896053-76-2.
What is the molecular formula of 3-((2-Fluorobenzyl)thio)-6-(3-nitrophenyl)pyridazine?
The molecular formula of 3-((2-Fluorobenzyl)thio)-6-(3-nitrophenyl)pyridazine is C17H12FN3O2S.
What is the molecular weight of 3-((2-Fluorobenzyl)thio)-6-(3-nitrophenyl)pyridazine?
The molecular weight of 3-((2-Fluorobenzyl)thio)-6-(3-nitrophenyl)pyridazine is 341.06 g/mol.
Where can I buy 3-((2-Fluorobenzyl)thio)-6-(3-nitrophenyl)pyridazine?
You can request a quote for 3-((2-Fluorobenzyl)thio)-6-(3-nitrophenyl)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-Fluorobenzyl)thio)-6-(3-nitrophenyl)pyridazine?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-Fluorobenzyl)thio)-6-(3-nitrophenyl)pyridazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.