![ethyl 2-{[4-(2,5-dimethoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate structure](/static/products/6897/689749-08-4.webp)
ethyl 2-{[4-(2,5-dimethoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
TL;DR: ethyl 2-{[4-(2,5-dimethoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (CAS 689749-08-4) is a chemical compound with molecular formula C20H22N4O5S2 and molecular weight 462.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(2,5-dimethoxyphenyl)-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: ethyl 2-{[4-(2,5-dimethoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, ethyl 2-((4-(2,5-dimethoxyphenyl)-5-((thiophene-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate, ethyl 2-[[4-(2,5-dimethoxyphenyl)-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate, ethyl [(4-(2,5-dimethoxyphenyl)-5-{[(thien-2-ylcarbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetate, ethyl [4-(2,5-dimethoxyphenyl)-5-[(2-thenylamino)methyl]-4H-1,2,4-triazol-3-ylthio]acetate
| Molecular Formula | C20H22N4O5S2 |
|---|---|
| Molecular Weight | 462.10 g/mol |
| LogP | 2.9312 |
| Topological Polar Surface Area | 104.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 462.10315 |
| Heavy Atoms | 31 |
| Complexity | 1036.3772 |
Chemical Identifiers
| CAS Number | 689749-08-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C2=C(C=CC(=C2)OC)OC)CNC(=O)C3=CC=CS3 |
Product Overview
ethyl 2-{[4-(2,5-dimethoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (CAS 689749-08-4), with molecular formula C20H22N4O5S2 and molecular weight 462.10 g/mol. IUPAC: ethyl 2-[[4-(2,5-dimethoxyphenyl)-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of ethyl 2-{[4-(2,5-dimethoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Property Insights of ethyl 2-{[4-(2,5-dimethoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
The XLogP value of 2.9312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-{[4-(2,5-dimethoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate. The TPSA of 104.57 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[4-(2,5-dimethoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate. Following Lipinski's Rule of Five, ethyl 2-{[4-(2,5-dimethoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate has 1 hydrogen bond donor(s) and 9 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-(2,5-dimethoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
The CAS number of ethyl 2-{[4-(2,5-dimethoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is 689749-08-4.
What is the molecular formula of ethyl 2-{[4-(2,5-dimethoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
The molecular formula of ethyl 2-{[4-(2,5-dimethoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is C20H22N4O5S2.
What is the molecular weight of ethyl 2-{[4-(2,5-dimethoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
The molecular weight of ethyl 2-{[4-(2,5-dimethoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is 462.10 g/mol.
Where can I buy ethyl 2-{[4-(2,5-dimethoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
You can request a quote for ethyl 2-{[4-(2,5-dimethoxyphenyl)-5-{[(thiophen-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-(2,5-dimethoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[4-(2,5-dimethoxyphenyl)-5-{[(thiophen-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.