![Methylethyl 2-[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetate structure](/static/products/896/896835-37-3.png)
Methylethyl 2-[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetate
TL;DR: Methylethyl 2-[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetate (CAS 896835-37-3) is a chemical compound with molecular formula C14H16ClN3O2S and molecular weight 325.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: methylethyl 2-[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetate, isopropyl 2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate, propan-2-yl {[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, propan-2-yl 2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate, propan-2-yl 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
| Molecular Formula | C14H16ClN3O2S |
|---|---|
| Molecular Weight | 325.07 g/mol |
| LogP | 3.1792 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.0652 |
| Heavy Atoms | 21 |
| Complexity | 642.8994 |
Chemical Identifiers
| CAS Number | 896835-37-3 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=NN=C(N1C)C2=CC(=CC=C2)Cl |
Product Overview
Methylethyl 2-[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetate (CAS 896835-37-3), with molecular formula C14H16ClN3O2S and molecular weight 325.07 g/mol. IUPAC: propan-2-yl 2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of Methylethyl 2-[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetate
Property Insights of Methylethyl 2-[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetate
The XLogP value of 3.1792 indicates that Methylethyl 2-[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, Methylethyl 2-[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylethyl 2-[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetate has 0 hydrogen bond donor(s) and 5 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-[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetate?
The CAS number of Methylethyl 2-[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetate is 896835-37-3.
What is the molecular formula of Methylethyl 2-[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetate?
The molecular formula of Methylethyl 2-[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetate is C14H16ClN3O2S.
What is the molecular weight of Methylethyl 2-[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetate?
The molecular weight of Methylethyl 2-[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetate is 325.07 g/mol.
Where can I buy Methylethyl 2-[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetate?
You can request a quote for Methylethyl 2-[5-(3-chlorophenyl)-4-methyl-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-[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methylethyl 2-[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.