3-((4-Nitrobenzyl)thio)-6-(3-nitrophenyl)pyridazine
TL;DR: 3-((4-Nitrobenzyl)thio)-6-(3-nitrophenyl)pyridazine (CAS 896053-99-9) is a chemical compound with molecular formula C17H12N4O4S and molecular weight 368.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-nitrophenyl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine
Also Known As: 3-((4-nitrobenzyl)thio)-6-(3-nitrophenyl)pyridazine, 3-(3-Nitrophenyl)-6-[[(4-nitrophenyl)methyl]thio]pyridazine, 3-(3-nitrophenyl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine, 3-(3-nitrophenyl)-6-{[(4-nitrophenyl)methyl]sulfanyl}pyridazine, F1899-0611
| Molecular Formula | C17H12N4O4S |
|---|---|
| Molecular Weight | 368.06 g/mol |
| LogP | 4.2523 |
| Topological Polar Surface Area | 112.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.05792 |
| Heavy Atoms | 26 |
| Complexity | 945.7365 |
Chemical Identifiers
| CAS Number | 896053-99-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=C(C=C2)SCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
3-((4-Nitrobenzyl)thio)-6-(3-nitrophenyl)pyridazine (CAS 896053-99-9), with molecular formula C17H12N4O4S and molecular weight 368.06 g/mol. IUPAC: 3-(3-nitrophenyl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine.
Chemical Property Profile of 3-((4-Nitrobenzyl)thio)-6-(3-nitrophenyl)pyridazine
Property Insights of 3-((4-Nitrobenzyl)thio)-6-(3-nitrophenyl)pyridazine
The XLogP value of 4.2523 indicates that 3-((4-Nitrobenzyl)thio)-6-(3-nitrophenyl)pyridazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-Nitrobenzyl)thio)-6-(3-nitrophenyl)pyridazine. Following Lipinski's Rule of Five, 3-((4-Nitrobenzyl)thio)-6-(3-nitrophenyl)pyridazine has 0 hydrogen bond donor(s) and 7 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-Nitrobenzyl)thio)-6-(3-nitrophenyl)pyridazine?
The CAS number of 3-((4-Nitrobenzyl)thio)-6-(3-nitrophenyl)pyridazine is 896053-99-9.
What is the molecular formula of 3-((4-Nitrobenzyl)thio)-6-(3-nitrophenyl)pyridazine?
The molecular formula of 3-((4-Nitrobenzyl)thio)-6-(3-nitrophenyl)pyridazine is C17H12N4O4S.
What is the molecular weight of 3-((4-Nitrobenzyl)thio)-6-(3-nitrophenyl)pyridazine?
The molecular weight of 3-((4-Nitrobenzyl)thio)-6-(3-nitrophenyl)pyridazine is 368.06 g/mol.
Where can I buy 3-((4-Nitrobenzyl)thio)-6-(3-nitrophenyl)pyridazine?
You can request a quote for 3-((4-Nitrobenzyl)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-((4-Nitrobenzyl)thio)-6-(3-nitrophenyl)pyridazine?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Nitrobenzyl)thio)-6-(3-nitrophenyl)pyridazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.