![Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate structure](/static/products/852/852372-89-5.png)
Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate
TL;DR: Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate (CAS 852372-89-5) is a chemical compound with molecular formula C14H12N4O2S and molecular weight 300.07 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]acetate
Also Known As: ChemDiv2_007160, IDI1_005875, methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate, F0676-0102, methyl 2-({3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)acetate
| Molecular Formula | C14H12N4O2S |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 2.0564 |
| Topological Polar Surface Area | 69.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.06808 |
| Heavy Atoms | 21 |
| Complexity | 772.9999 |
Chemical Identifiers
| CAS Number | 852372-89-5 |
|---|---|
| SMILES | COC(=O)CSC1=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)acetate (CAS 852372-89-5), with molecular formula C14H12N4O2S and molecular weight 300.07 g/mol. IUPAC: methyl 2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate.
Chemical Property Profile of Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate
Property Insights of Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate
The XLogP value of 2.0564 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)acetate. 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)acetate. Following Lipinski's Rule of Five, Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate 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)acetate?
The CAS number of Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate is 852372-89-5.
What is the molecular formula of Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate?
The molecular formula of Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate is C14H12N4O2S.
What is the molecular weight of Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate?
The molecular weight of Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate is 300.07 g/mol.
Where can I buy Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate?
You can request a quote for Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate 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)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.