![Methylethyl 2-[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate structure](/static/products/333/333313-04-5.png)
Methylethyl 2-[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate
TL;DR: Methylethyl 2-[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate (CAS 333313-04-5) is a chemical compound with molecular formula C16H21N3O3S and molecular weight 335.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: BAS 02137871, ASN 02137871, methylethyl 2-[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate, isopropyl 2-((4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate, propan-2-yl {[4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
| Molecular Formula | C16H21N3O3S |
|---|---|
| Molecular Weight | 335.13 g/mol |
| LogP | 3.0173 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 335.13037 |
| Heavy Atoms | 23 |
| Complexity | 670.3401 |
Chemical Identifiers
| CAS Number | 333313-04-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)OC(C)C)C2=CC=CC=C2OC |
Product Overview
Methylethyl 2-[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate (CAS 333313-04-5), with molecular formula C16H21N3O3S and molecular weight 335.13 g/mol. IUPAC: propan-2-yl 2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of Methylethyl 2-[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate
Property Insights of Methylethyl 2-[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate
The XLogP value of 3.0173 indicates that Methylethyl 2-[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylethyl 2-[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate. Following Lipinski's Rule of Five, Methylethyl 2-[4-ethyl-5-(2-methoxyphenyl)-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-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate?
The CAS number of Methylethyl 2-[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate is 333313-04-5.
What is the molecular formula of Methylethyl 2-[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate?
The molecular formula of Methylethyl 2-[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate is C16H21N3O3S.
What is the molecular weight of Methylethyl 2-[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate?
The molecular weight of Methylethyl 2-[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate is 335.13 g/mol.
Where can I buy Methylethyl 2-[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate?
You can request a quote for Methylethyl 2-[4-ethyl-5-(2-methoxyphenyl)-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-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methylethyl 2-[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.