![3-((4-Nitrobenzyl)thio)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine structure](/static/products/891/891118-64-2.png)
3-((4-Nitrobenzyl)thio)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
TL;DR: 3-((4-Nitrobenzyl)thio)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine (CAS 891118-64-2) is a chemical compound with molecular formula C18H13N5O2S and molecular weight 363.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-nitrophenyl)methylsulfanyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
Also Known As: AB00678492-01, F2506-0087, 3-((4-nitrobenzyl)thio)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine, 3-{[(4-nitrophenyl)methyl]sulfanyl}-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine, 3-[(4-nitrophenyl)methylsulfanyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
| Molecular Formula | C18H13N5O2S |
|---|---|
| Molecular Weight | 363.08 g/mol |
| LogP | 3.9918 |
| Topological Polar Surface Area | 86.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.079 |
| Heavy Atoms | 26 |
| Complexity | 1064.0964 |
Chemical Identifiers
| CAS Number | 891118-64-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN3C(=NN=C3SCC4=CC=C(C=C4)[N+](=O)[O-])C=C2 |
Product Overview
3-((4-Nitrobenzyl)thio)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine (CAS 891118-64-2), with molecular formula C18H13N5O2S and molecular weight 363.08 g/mol. IUPAC: 3-[(4-nitrophenyl)methylsulfanyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine.
Chemical Property Profile of 3-((4-Nitrobenzyl)thio)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
Property Insights of 3-((4-Nitrobenzyl)thio)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
The XLogP value of 3.9918 indicates that 3-((4-Nitrobenzyl)thio)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-Nitrobenzyl)thio)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine. Following Lipinski's Rule of Five, 3-((4-Nitrobenzyl)thio)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine has 0 hydrogen bond donor(s) and 6 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-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The CAS number of 3-((4-Nitrobenzyl)thio)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine is 891118-64-2.
What is the molecular formula of 3-((4-Nitrobenzyl)thio)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The molecular formula of 3-((4-Nitrobenzyl)thio)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine is C18H13N5O2S.
What is the molecular weight of 3-((4-Nitrobenzyl)thio)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The molecular weight of 3-((4-Nitrobenzyl)thio)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine is 363.08 g/mol.
Where can I buy 3-((4-Nitrobenzyl)thio)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
You can request a quote for 3-((4-Nitrobenzyl)thio)-6-phenyl-[1,2,4]triazolo[4,3-b]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-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Nitrobenzyl)thio)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.