6-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazine
TL;DR: 6-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazine (CAS 40971-95-7) is a chemical compound with molecular formula C6H2ClF3N4 and molecular weight 221.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
Also Known As: 6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine, 6-chloro-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine, [1,3]DITHIEPANE, 8-Chloro-tetrazolo<1,5-a>pyridin, BAS 00583559
| Molecular Formula | C6H2ClF3N4 |
|---|---|
| Molecular Weight | 221.99 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 221.992 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 40971-95-7 |
|---|---|
| SMILES | C1=CC(=NN2C1=NN=C2C(F)(F)F)Cl |
| InChIKey | IJESFQCCOFNOQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazine (CAS 40971-95-7), with molecular formula C6H2ClF3N4 and molecular weight 221.99 g/mol. IUPAC: 6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
Chemical Property Profile of 6-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazine
Property Insights of 6-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazine. With a topological polar surface area (TPSA) of 43.1 Ų, 6-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-3-(trifluoromethyl)-(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 6-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazine?
The CAS number of 6-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazine is 40971-95-7.
What is the molecular formula of 6-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazine?
The molecular formula of 6-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazine is C6H2ClF3N4.
What is the molecular weight of 6-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazine?
The molecular weight of 6-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazine is 221.99 g/mol.
Where can I buy 6-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazine?
You can request a quote for 6-Chloro-3-(trifluoromethyl)-(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 6-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazine?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.