1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-fluorophenyl)hexahydro-3-thioxo-
TL;DR: 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-fluorophenyl)hexahydro-3-thioxo- (CAS 91396-85-9) is a chemical compound with molecular formula C12H12FN3OS and molecular weight 265.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-fluorophenyl)-3-sulfanylidene-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, 2-(3-fluorophenyl)hexahydro-3-thioxo-, 2-(3-fluorophenyl)-3-thioxohexahydro-1h-[1,2,4]triazolo[1,2-a]pyridazin-1-one, 8-(3-fluorophenyl)-9-sulfanylidene-1,6,8-triazabicyclo[4.3.0]nonan-7-one, 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-fluorophenyl)hexahydro-3-thioxo-, 1H-[1,2,4]Triazolo[1,2-a]pyridazin-1-one,2-(3-fluorophenyl)hexahydro-3-thioxo-
| Molecular Formula | C12H12FN3OS |
|---|---|
| Molecular Weight | 265.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.0685 |
| Heavy Atoms | 18 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 91396-85-9 |
|---|---|
| SMILES | C1CCN2C(=S)N(C(=O)N2C1)C3=CC(=CC=C3)F |
| InChIKey | PFESCCQWNLWMTC-UHFFFAOYSA-N |
Product Overview
1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-fluorophenyl)hexahydro-3-thioxo- (CAS 91396-85-9), with molecular formula C12H12FN3OS and molecular weight 265.07 g/mol. IUPAC: 2-(3-fluorophenyl)-3-sulfanylidene-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, 2-(3-fluorophenyl)hexahydro-3-thioxo-
Property Insights of 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-fluorophenyl)hexahydro-3-thioxo-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-fluorophenyl)hexahydro-3-thioxo-. With a topological polar surface area (TPSA) of 58.9 Ų, 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-fluorophenyl)hexahydro-3-thioxo- 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, 2-(3-fluorophenyl)hexahydro-3-thioxo- has 0 hydrogen bond donor(s) and 3 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, 2-(3-fluorophenyl)hexahydro-3-thioxo-?
The CAS number of 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-fluorophenyl)hexahydro-3-thioxo- is 91396-85-9.
What is the molecular formula of 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-fluorophenyl)hexahydro-3-thioxo-?
The molecular formula of 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-fluorophenyl)hexahydro-3-thioxo- is C12H12FN3OS.
What is the molecular weight of 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-fluorophenyl)hexahydro-3-thioxo-?
The molecular weight of 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-fluorophenyl)hexahydro-3-thioxo- is 265.07 g/mol.
Where can I buy 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-fluorophenyl)hexahydro-3-thioxo-?
You can request a quote for 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-fluorophenyl)hexahydro-3-thioxo- 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, 2-(3-fluorophenyl)hexahydro-3-thioxo-?
Yes, KEHONG BIO provides custom synthesis services for 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-fluorophenyl)hexahydro-3-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.