![Ethyl 2-[5-(2-furyl)-4-(methylethyl)-1,2,4-triazol-3-ylthio]acetate structure](/static/products/888/888309-23-7.png)
Ethyl 2-[5-(2-furyl)-4-(methylethyl)-1,2,4-triazol-3-ylthio]acetate
TL;DR: Ethyl 2-[5-(2-furyl)-4-(methylethyl)-1,2,4-triazol-3-ylthio]acetate (CAS 888309-23-7) is a chemical compound with molecular formula C13H17N3O3S and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-(furan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: ethyl 2-((5-(furan-2-yl)-4-isopropyl-4H-1,2,4-triazol-3-yl)thio)acetate, ethyl 2-[5-(2-furyl)-4-(methylethyl)-1,2,4-triazol-3-ylthio]acetate, ethyl {[5-(furan-2-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, ethyl 2-[[5-(furan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate, ETHYL 2-{[5-(2-FURYL)-4-ISOPROPYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETATE
| Molecular Formula | C13H17N3O3S |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 2.7742 |
| Topological Polar Surface Area | 70.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.09906 |
| Heavy Atoms | 20 |
| Complexity | 563.4333 |
Chemical Identifiers
| CAS Number | 888309-23-7 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C(C)C)C2=CC=CO2 |
Product Overview
Ethyl 2-[5-(2-furyl)-4-(methylethyl)-1,2,4-triazol-3-ylthio]acetate (CAS 888309-23-7), with molecular formula C13H17N3O3S and molecular weight 295.10 g/mol. IUPAC: ethyl 2-[[5-(furan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-[5-(2-furyl)-4-(methylethyl)-1,2,4-triazol-3-ylthio]acetate
Property Insights of Ethyl 2-[5-(2-furyl)-4-(methylethyl)-1,2,4-triazol-3-ylthio]acetate
The XLogP value of 2.7742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[5-(2-furyl)-4-(methylethyl)-1,2,4-triazol-3-ylthio]acetate. The TPSA of 70.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[5-(2-furyl)-4-(methylethyl)-1,2,4-triazol-3-ylthio]acetate. Following Lipinski's Rule of Five, Ethyl 2-[5-(2-furyl)-4-(methylethyl)-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 Ethyl 2-[5-(2-furyl)-4-(methylethyl)-1,2,4-triazol-3-ylthio]acetate?
The CAS number of Ethyl 2-[5-(2-furyl)-4-(methylethyl)-1,2,4-triazol-3-ylthio]acetate is 888309-23-7.
What is the molecular formula of Ethyl 2-[5-(2-furyl)-4-(methylethyl)-1,2,4-triazol-3-ylthio]acetate?
The molecular formula of Ethyl 2-[5-(2-furyl)-4-(methylethyl)-1,2,4-triazol-3-ylthio]acetate is C13H17N3O3S.
What is the molecular weight of Ethyl 2-[5-(2-furyl)-4-(methylethyl)-1,2,4-triazol-3-ylthio]acetate?
The molecular weight of Ethyl 2-[5-(2-furyl)-4-(methylethyl)-1,2,4-triazol-3-ylthio]acetate is 295.10 g/mol.
Where can I buy Ethyl 2-[5-(2-furyl)-4-(methylethyl)-1,2,4-triazol-3-ylthio]acetate?
You can request a quote for Ethyl 2-[5-(2-furyl)-4-(methylethyl)-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 Ethyl 2-[5-(2-furyl)-4-(methylethyl)-1,2,4-triazol-3-ylthio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[5-(2-furyl)-4-(methylethyl)-1,2,4-triazol-3-ylthio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.