![Methylethyl 2-[4-(4-methylphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetate structure](/static/products/852/852404-77-4.png)
Methylethyl 2-[4-(4-methylphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetate
TL;DR: Methylethyl 2-[4-(4-methylphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetate (CAS 852404-77-4) is a chemical compound with molecular formula C19H20N4O2S and molecular weight 368.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: isopropyl 2-((5-(pyridin-2-yl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate, methylethyl 2-[4-(4-methylphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetate, propan-2-yl {[4-(4-methylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, propan-2-yl 2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate, propan-2-yl 2-{[4-(4-methylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
| Molecular Formula | C19H20N4O2S |
|---|---|
| Molecular Weight | 368.13 g/mol |
| LogP | 3.68142 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.1307 |
| Heavy Atoms | 26 |
| Complexity | 876.3146 |
Chemical Identifiers
| CAS Number | 852404-77-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC(C)C)C3=CC=CC=N3 |
Product Overview
Methylethyl 2-[4-(4-methylphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetate (CAS 852404-77-4), with molecular formula C19H20N4O2S and molecular weight 368.13 g/mol. IUPAC: propan-2-yl 2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of Methylethyl 2-[4-(4-methylphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetate
Property Insights of Methylethyl 2-[4-(4-methylphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetate
The XLogP value of 3.68142 indicates that Methylethyl 2-[4-(4-methylphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylethyl 2-[4-(4-methylphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetate. Following Lipinski's Rule of Five, Methylethyl 2-[4-(4-methylphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]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 Methylethyl 2-[4-(4-methylphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetate?
The CAS number of Methylethyl 2-[4-(4-methylphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetate is 852404-77-4.
What is the molecular formula of Methylethyl 2-[4-(4-methylphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetate?
The molecular formula of Methylethyl 2-[4-(4-methylphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetate is C19H20N4O2S.
What is the molecular weight of Methylethyl 2-[4-(4-methylphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetate?
The molecular weight of Methylethyl 2-[4-(4-methylphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetate is 368.13 g/mol.
Where can I buy Methylethyl 2-[4-(4-methylphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetate?
You can request a quote for Methylethyl 2-[4-(4-methylphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylethyl 2-[4-(4-methylphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methylethyl 2-[4-(4-methylphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.