![(5-Furan-2-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester structure](/static/products/5570/557066-88-3.webp)
(5-Furan-2-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester
TL;DR: (5-Furan-2-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester (CAS 557066-88-3) is a chemical compound with molecular formula C11H13N3O3S and molecular weight 267.07 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-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: BAS 04037151, (5-Furan-2-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester, ethyl 2-(5-(2-furyl)-4-methyl-1,2,4-triazol-3-ylthio)acetate, ethyl {[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, ethyl 2-((5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate
| Molecular Formula | C11H13N3O3S |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 267.06775 |
| Heavy Atoms | 18 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 557066-88-3 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C)C2=CC=CO2 |
| InChIKey | VPDRAYIUSPPJCI-UHFFFAOYSA-N |
Product Overview
(5-Furan-2-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester (CAS 557066-88-3), with molecular formula C11H13N3O3S and molecular weight 267.07 g/mol. IUPAC: ethyl 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of (5-Furan-2-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester
Property Insights of (5-Furan-2-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Furan-2-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Furan-2-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester. Following Lipinski's Rule of Five, (5-Furan-2-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester 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 (5-Furan-2-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester?
The CAS number of (5-Furan-2-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester is 557066-88-3.
What is the molecular formula of (5-Furan-2-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester?
The molecular formula of (5-Furan-2-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester is C11H13N3O3S.
What is the molecular weight of (5-Furan-2-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester?
The molecular weight of (5-Furan-2-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester is 267.07 g/mol.
Where can I buy (5-Furan-2-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester?
You can request a quote for (5-Furan-2-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Furan-2-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (5-Furan-2-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.