![Methylethyl 2-[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-ylthio]acetate structure](/static/products/862/862106-47-6.png)
Methylethyl 2-[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-ylthio]acetate
TL;DR: Methylethyl 2-[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-ylthio]acetate (CAS 862106-47-6) is a chemical compound with molecular formula C17H21N3O2S and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: isopropyl 2-((4-allyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate, methylethyl 2-[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-ylthio]acetate, propan-2-yl 2-[[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate, propan-2-yl {[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, propan-2-yl 2-{[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
| Molecular Formula | C17H21N3O2S |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 3.48322 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.13544 |
| Heavy Atoms | 23 |
| Complexity | 677.647 |
Chemical Identifiers
| CAS Number | 862106-47-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)OC(C)C |
Product Overview
Methylethyl 2-[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-ylthio]acetate (CAS 862106-47-6), with molecular formula C17H21N3O2S and molecular weight 331.14 g/mol. IUPAC: propan-2-yl 2-[[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of Methylethyl 2-[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-ylthio]acetate
Property Insights of Methylethyl 2-[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-ylthio]acetate
The XLogP value of 3.48322 indicates that Methylethyl 2-[5-(4-methylphenyl)-4-prop-2-enyl-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-(4-methylphenyl)-4-prop-2-enyl-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-(4-methylphenyl)-4-prop-2-enyl-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-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-ylthio]acetate?
The CAS number of Methylethyl 2-[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-ylthio]acetate is 862106-47-6.
What is the molecular formula of Methylethyl 2-[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-ylthio]acetate?
The molecular formula of Methylethyl 2-[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-ylthio]acetate is C17H21N3O2S.
What is the molecular weight of Methylethyl 2-[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-ylthio]acetate?
The molecular weight of Methylethyl 2-[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-ylthio]acetate is 331.14 g/mol.
Where can I buy Methylethyl 2-[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-ylthio]acetate?
You can request a quote for Methylethyl 2-[5-(4-methylphenyl)-4-prop-2-enyl-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-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-ylthio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methylethyl 2-[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-ylthio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.