![Ethyl 2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate structure](/static/products/868/868970-34-7.png)
Ethyl 2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate
TL;DR: Ethyl 2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate (CAS 868970-34-7) is a chemical compound with molecular formula C14H13N5O2S and molecular weight 315.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate
Also Known As: ethyl 2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate, ethyl 2-{[3-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetate, ethyl 2-((3-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate, 2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio]acetic acid ethyl ester, 2-[[3-(4-pyridyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]acetic acid ethyl ester
| Molecular Formula | C14H13N5O2S |
|---|---|
| Molecular Weight | 315.08 g/mol |
| LogP | 1.8415 |
| Topological Polar Surface Area | 82.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.079 |
| Heavy Atoms | 22 |
| Complexity | 790.28735 |
Chemical Identifiers
| CAS Number | 868970-34-7 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN2C(=NN=C2C3=CC=NC=C3)C=C1 |
Product Overview
Ethyl 2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate (CAS 868970-34-7), with molecular formula C14H13N5O2S and molecular weight 315.08 g/mol. IUPAC: ethyl 2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate
Property Insights of Ethyl 2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate
The XLogP value of 1.8415 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate. The TPSA of 82.27 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, Ethyl 2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate 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 2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate?
The CAS number of Ethyl 2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate is 868970-34-7.
What is the molecular formula of Ethyl 2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate?
The molecular formula of Ethyl 2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate is C14H13N5O2S.
What is the molecular weight of Ethyl 2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate?
The molecular weight of Ethyl 2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate is 315.08 g/mol.
Where can I buy Ethyl 2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate?
You can request a quote for Ethyl 2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.