1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-3-thioxo-2-(3-(trifluoromethyl)phenyl)-
TL;DR: 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-3-thioxo-2-(3-(trifluoromethyl)phenyl)- (CAS 58744-75-5) is a chemical compound with molecular formula C13H12F3N3OS and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-sulfanylidene-2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-1-one
Also Known As: 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-3-thioxo-2-(3-(trifluoromethyl)phenyl)-, 3-sulfanylidene-2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-1-one, 3-Sulfanylidene-2-[3-(trifluoromethyl)phenyl]hexahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-1-one
| Molecular Formula | C13H12F3N3OS |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 2.98259 |
| Topological Polar Surface Area | 31.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 315.0653 |
| Heavy Atoms | 21 |
| Complexity | 762.71356 |
Chemical Identifiers
| CAS Number | 58744-75-5 |
|---|---|
| SMILES | C1CCN2C(=S)N(C(=O)N2C1)C3=CC=CC(=C3)C(F)(F)F |
Product Overview
1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-3-thioxo-2-(3-(trifluoromethyl)phenyl)- (CAS 58744-75-5), with molecular formula C13H12F3N3OS and molecular weight 315.07 g/mol. IUPAC: 3-sulfanylidene-2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-1-one.
Chemical Property Profile of 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-3-thioxo-2-(3-(trifluoromethyl)phenyl)-
Property Insights of 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-3-thioxo-2-(3-(trifluoromethyl)phenyl)-
The XLogP value of 2.98259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-3-thioxo-2-(3-(trifluoromethyl)phenyl)-. With a topological polar surface area (TPSA) of 31.86 Ų, 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-3-thioxo-2-(3-(trifluoromethyl)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-3-thioxo-2-(3-(trifluoromethyl)phenyl)- has 0 hydrogen bond donor(s) and 2 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 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-3-thioxo-2-(3-(trifluoromethyl)phenyl)-?
The CAS number of 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-3-thioxo-2-(3-(trifluoromethyl)phenyl)- is 58744-75-5.
What is the molecular formula of 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-3-thioxo-2-(3-(trifluoromethyl)phenyl)-?
The molecular formula of 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-3-thioxo-2-(3-(trifluoromethyl)phenyl)- is C13H12F3N3OS.
What is the molecular weight of 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-3-thioxo-2-(3-(trifluoromethyl)phenyl)-?
The molecular weight of 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-3-thioxo-2-(3-(trifluoromethyl)phenyl)- is 315.07 g/mol.
Where can I buy 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-3-thioxo-2-(3-(trifluoromethyl)phenyl)-?
You can request a quote for 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-3-thioxo-2-(3-(trifluoromethyl)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-3-thioxo-2-(3-(trifluoromethyl)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-3-thioxo-2-(3-(trifluoromethyl)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.