![ethyl 2-[4-(furan-2-ylmethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]acetate structure](/static/products/863/863669-70-9.png)
ethyl 2-[4-(furan-2-ylmethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]acetate
TL;DR: ethyl 2-[4-(furan-2-ylmethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]acetate (CAS 863669-70-9) 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-[4-(furan-2-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]acetate
Also Known As: ethyl 2-[4-(furan-2-ylmethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]acetate, ethyl [4-(2-furylmethyl)-5-mercapto-4H-1,2,4-triazol-3-yl]acetate, AB00741554-01, ethyl 2-[4-(furan-2-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]acetate, ethyl 2-{4-[(furan-2-yl)methyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}acetate
| Molecular Formula | C11H13N3O3S |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | 1.68759 |
| Topological Polar Surface Area | 73.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.06775 |
| Heavy Atoms | 18 |
| Complexity | 570.6228 |
Chemical Identifiers
| CAS Number | 863669-70-9 |
|---|---|
| SMILES | CCOC(=O)CC1=NNC(=S)N1CC2=CC=CO2 |
Product Overview
ethyl 2-[4-(furan-2-ylmethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]acetate (CAS 863669-70-9), with molecular formula C11H13N3O3S and molecular weight 267.07 g/mol. IUPAC: ethyl 2-[4-(furan-2-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]acetate.
Chemical Property Profile of ethyl 2-[4-(furan-2-ylmethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]acetate
Property Insights of ethyl 2-[4-(furan-2-ylmethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]acetate
The XLogP value of 1.68759 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[4-(furan-2-ylmethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]acetate. The TPSA of 73.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[4-(furan-2-ylmethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]acetate. Following Lipinski's Rule of Five, ethyl 2-[4-(furan-2-ylmethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]acetate has 1 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 ethyl 2-[4-(furan-2-ylmethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]acetate?
The CAS number of ethyl 2-[4-(furan-2-ylmethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]acetate is 863669-70-9.
What is the molecular formula of ethyl 2-[4-(furan-2-ylmethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]acetate?
The molecular formula of ethyl 2-[4-(furan-2-ylmethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]acetate is C11H13N3O3S.
What is the molecular weight of ethyl 2-[4-(furan-2-ylmethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]acetate?
The molecular weight of ethyl 2-[4-(furan-2-ylmethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]acetate is 267.07 g/mol.
Where can I buy ethyl 2-[4-(furan-2-ylmethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]acetate?
You can request a quote for ethyl 2-[4-(furan-2-ylmethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]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-[4-(furan-2-ylmethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[4-(furan-2-ylmethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.