![Ethyl 3-oxo-4-[(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio]butanoate structure](/static/products/852/852372-96-4.png)
Ethyl 3-oxo-4-[(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio]butanoate
TL;DR: Ethyl 3-oxo-4-[(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio]butanoate (CAS 852372-96-4) is a chemical compound with molecular formula C17H16N4O3S and molecular weight 356.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-4-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanoate
Also Known As: ethyl 3-oxo-4-[(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio]butanoate, ethyl 3-oxo-4-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanoate, ethyl 3-oxo-4-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate, ethyl 3-oxo-4-({3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)butanoate, 3-keto-4-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio]butyric acid ethyl ester
| Molecular Formula | C17H16N4O3S |
|---|---|
| Molecular Weight | 356.09 g/mol |
| LogP | 2.4057 |
| Topological Polar Surface Area | 86.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 356.0943 |
| Heavy Atoms | 25 |
| Complexity | 895.30414 |
Chemical Identifiers
| CAS Number | 852372-96-4 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=NN2C(=NN=C2C3=CC=CC=C3)C=C1 |
Product Overview
Ethyl 3-oxo-4-[(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio]butanoate (CAS 852372-96-4), with molecular formula C17H16N4O3S and molecular weight 356.09 g/mol. IUPAC: ethyl 3-oxo-4-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanoate.
Chemical Property Profile of Ethyl 3-oxo-4-[(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio]butanoate
Property Insights of Ethyl 3-oxo-4-[(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio]butanoate
The XLogP value of 2.4057 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-oxo-4-[(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio]butanoate. The TPSA of 86.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-oxo-4-[(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio]butanoate. Following Lipinski's Rule of Five, Ethyl 3-oxo-4-[(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio]butanoate 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 Ethyl 3-oxo-4-[(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio]butanoate?
The CAS number of Ethyl 3-oxo-4-[(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio]butanoate is 852372-96-4.
What is the molecular formula of Ethyl 3-oxo-4-[(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio]butanoate?
The molecular formula of Ethyl 3-oxo-4-[(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio]butanoate is C17H16N4O3S.
What is the molecular weight of Ethyl 3-oxo-4-[(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio]butanoate?
The molecular weight of Ethyl 3-oxo-4-[(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio]butanoate is 356.09 g/mol.
Where can I buy Ethyl 3-oxo-4-[(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio]butanoate?
You can request a quote for Ethyl 3-oxo-4-[(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-oxo-4-[(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-oxo-4-[(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.