methyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate
TL;DR: methyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate (CAS 590357-85-0) is a chemical compound with molecular formula C16H16N4O3S3 and molecular weight 408.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
Also Known As: methyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate, methyl 2-[({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]thiophene-3-carboxylate, methyl 2-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate, methyl 2-[2-(4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-ylthio)acetylamino]thiophen e-3-carboxylate
| Molecular Formula | C16H16N4O3S3 |
|---|---|
| Molecular Weight | 408.04 g/mol |
| LogP | 3.6054 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.03845 |
| Heavy Atoms | 26 |
| Complexity | 901.8879 |
Chemical Identifiers
| CAS Number | 590357-85-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=CS2)C(=O)OC)C3=CC=CS3 |
Product Overview
methyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate (CAS 590357-85-0), with molecular formula C16H16N4O3S3 and molecular weight 408.04 g/mol. IUPAC: methyl 2-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate
Property Insights of methyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate
The XLogP value of 3.6054 indicates that methyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 8 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 methyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate?
The CAS number of methyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate is 590357-85-0.
What is the molecular formula of methyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate?
The molecular formula of methyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate is C16H16N4O3S3.
What is the molecular weight of methyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate?
The molecular weight of methyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate is 408.04 g/mol.
Where can I buy methyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate?
You can request a quote for methyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.