![Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate structure](/static/products/852/852372-92-0.png)
Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate
TL;DR: Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate (CAS 852372-92-0) is a chemical compound with molecular formula C16H16N4O2S and molecular weight 328.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanoate
Also Known As: ChemDiv3_010760, IDI1_028318, BRD-A80436760-001-01-4, F0676-0106, methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate
| Molecular Formula | C16H16N4O2S |
|---|---|
| Molecular Weight | 328.10 g/mol |
| LogP | 2.835 |
| Topological Polar Surface Area | 69.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.0994 |
| Heavy Atoms | 23 |
| Complexity | 819.3181 |
Chemical Identifiers
| CAS Number | 852372-92-0 |
|---|---|
| SMILES | CCC(C(=O)OC)SC1=NN2C(=NN=C2C3=CC=CC=C3)C=C1 |
Product Overview
Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate (CAS 852372-92-0), with molecular formula C16H16N4O2S and molecular weight 328.10 g/mol. IUPAC: methyl 2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanoate.
Chemical Property Profile of Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate
Property Insights of Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate
The XLogP value of 2.835 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate. The TPSA of 69.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate. Following Lipinski's Rule of Five, Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate 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 Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate?
The CAS number of Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate is 852372-92-0.
What is the molecular formula of Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate?
The molecular formula of Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate is C16H16N4O2S.
What is the molecular weight of Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate?
The molecular weight of Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate is 328.10 g/mol.
Where can I buy Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate?
You can request a quote for Methyl 2-((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 Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-((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.