dimethyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)terephthalate
TL;DR: dimethyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)terephthalate (CAS 568574-90-3) is a chemical compound with molecular formula C20H20N4O5S2 and molecular weight 460.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)terephthalate, dimethyl 2-[({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzene-1,4-dicarboxylate, dimethyl 2-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate, methyl 3-[2-(4-ethyl-5-(2-thienyl)(1,2,4-triazol-3-ylthio))acetylamino]-4-(met hoxycarbonyl)benzoate
| Molecular Formula | C20H20N4O5S2 |
|---|---|
| Molecular Weight | 460.09 g/mol |
| LogP | 3.3305 |
| Topological Polar Surface Area | 112.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 460.08752 |
| Heavy Atoms | 31 |
| Complexity | 1095.1927 |
Chemical Identifiers
| CAS Number | 568574-90-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)C3=CC=CS3 |
Product Overview
dimethyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)terephthalate (CAS 568574-90-3), with molecular formula C20H20N4O5S2 and molecular weight 460.09 g/mol. IUPAC: dimethyl 2-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of dimethyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)terephthalate
Property Insights of dimethyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)terephthalate
The XLogP value of 3.3305 indicates that dimethyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)terephthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.41 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)terephthalate. Following Lipinski's Rule of Five, dimethyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)terephthalate 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 dimethyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)terephthalate?
The CAS number of dimethyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)terephthalate is 568574-90-3.
What is the molecular formula of dimethyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)terephthalate?
The molecular formula of dimethyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)terephthalate is C20H20N4O5S2.
What is the molecular weight of dimethyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)terephthalate?
The molecular weight of dimethyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)terephthalate is 460.09 g/mol.
Where can I buy dimethyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)terephthalate?
You can request a quote for dimethyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)terephthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.