![Methyl [(4-methyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]acetate structure](/static/products/6262/626204-91-9.webp)
Methyl [(4-methyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]acetate
TL;DR: Methyl [(4-methyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]acetate (CAS 626204-91-9) is a chemical compound with molecular formula C11H12N4O2S and molecular weight 264.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
Also Known As: BAS 04026405, Methyl [(4-methyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]acetate, methyl {[4-methyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetate, methyl 2-(4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetate, methyl 2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
| Molecular Formula | C11H12N4O2S |
|---|---|
| Molecular Weight | 264.07 g/mol |
| LogP | 1.1422 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.06808 |
| Heavy Atoms | 18 |
| Complexity | 541.23114 |
Chemical Identifiers
| CAS Number | 626204-91-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)OC)C2=CN=CC=C2 |
Product Overview
Methyl [(4-methyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]acetate (CAS 626204-91-9), with molecular formula C11H12N4O2S and molecular weight 264.07 g/mol. IUPAC: methyl 2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate.
Chemical Property Profile of Methyl [(4-methyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]acetate
Property Insights of Methyl [(4-methyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]acetate
The XLogP value of 1.1422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl [(4-methyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]acetate. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [(4-methyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]acetate. Following Lipinski's Rule of Five, Methyl [(4-methyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-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 [(4-methyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]acetate?
The CAS number of Methyl [(4-methyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]acetate is 626204-91-9.
What is the molecular formula of Methyl [(4-methyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]acetate?
The molecular formula of Methyl [(4-methyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]acetate is C11H12N4O2S.
What is the molecular weight of Methyl [(4-methyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]acetate?
The molecular weight of Methyl [(4-methyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]acetate is 264.07 g/mol.
Where can I buy Methyl [(4-methyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]acetate?
You can request a quote for Methyl [(4-methyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-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 [(4-methyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [(4-methyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.