![ethyl 2-{[4-(4-fluorophenyl)-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate structure](/static/products/6897/689750-46-7.webp)
ethyl 2-{[4-(4-fluorophenyl)-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
TL;DR: ethyl 2-{[4-(4-fluorophenyl)-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (CAS 689750-46-7) is a chemical compound with molecular formula C18H17FN4O4S and molecular weight 404.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(4-fluorophenyl)-5-[(furan-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: ethyl 2-{[4-(4-fluorophenyl)-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, ethyl ({4-(4-fluorophenyl)-5-[(2-furoylamino)methyl]-4H-1,2,4-triazol-3-yl}thio)acetate, ethyl 2-[[4-(4-fluorophenyl)-5-[(furan-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate, ethyl 2-((4-(4-fluorophenyl)-5-((furan-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate
| Molecular Formula | C18H17FN4O4S |
|---|---|
| Molecular Weight | 404.10 g/mol |
| LogP | 2.5846 |
| Topological Polar Surface Area | 99.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 404.09546 |
| Heavy Atoms | 28 |
| Complexity | 941.16364 |
Chemical Identifiers
| CAS Number | 689750-46-7 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)F)CNC(=O)C3=CC=CO3 |
Product Overview
ethyl 2-{[4-(4-fluorophenyl)-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (CAS 689750-46-7), with molecular formula C18H17FN4O4S and molecular weight 404.10 g/mol. IUPAC: ethyl 2-[[4-(4-fluorophenyl)-5-[(furan-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of ethyl 2-{[4-(4-fluorophenyl)-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Property Insights of ethyl 2-{[4-(4-fluorophenyl)-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
The XLogP value of 2.5846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-{[4-(4-fluorophenyl)-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate. The TPSA of 99.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[4-(4-fluorophenyl)-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate. Following Lipinski's Rule of Five, ethyl 2-{[4-(4-fluorophenyl)-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate has 1 hydrogen bond donor(s) and 7 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-(4-fluorophenyl)-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
The CAS number of ethyl 2-{[4-(4-fluorophenyl)-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is 689750-46-7.
What is the molecular formula of ethyl 2-{[4-(4-fluorophenyl)-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
The molecular formula of ethyl 2-{[4-(4-fluorophenyl)-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is C18H17FN4O4S.
What is the molecular weight of ethyl 2-{[4-(4-fluorophenyl)-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
The molecular weight of ethyl 2-{[4-(4-fluorophenyl)-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is 404.10 g/mol.
Where can I buy ethyl 2-{[4-(4-fluorophenyl)-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
You can request a quote for ethyl 2-{[4-(4-fluorophenyl)-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}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-(4-fluorophenyl)-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[4-(4-fluorophenyl)-5-{[(furan-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.