methyl 2-(2-((4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate
TL;DR: methyl 2-(2-((4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate (CAS 590357-26-9) is a chemical compound with molecular formula C17H17N5O3S2 and molecular weight 403.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
Also Known As: methyl 2-(2-((4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate, methyl 2-[({[4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]thiophene-3-carboxylate, methyl 2-[[2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate, methyl 2-[2-(4-ethyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]thiophen e-3-carboxylate
| Molecular Formula | C17H17N5O3S2 |
|---|---|
| Molecular Weight | 403.08 g/mol |
| LogP | 2.9389 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.07727 |
| Heavy Atoms | 27 |
| Complexity | 939.2093 |
Chemical Identifiers
| CAS Number | 590357-26-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=CS2)C(=O)OC)C3=CC=CC=N3 |
Product Overview
methyl 2-(2-((4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate (CAS 590357-26-9), with molecular formula C17H17N5O3S2 and molecular weight 403.08 g/mol. IUPAC: methyl 2-[[2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(2-((4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate
Property Insights of methyl 2-(2-((4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate
The XLogP value of 2.9389 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(2-((4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2-((4-ethyl-5-(pyridin-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-(pyridin-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-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate?
The CAS number of methyl 2-(2-((4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate is 590357-26-9.
What is the molecular formula of methyl 2-(2-((4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate?
The molecular formula of methyl 2-(2-((4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate is C17H17N5O3S2.
What is the molecular weight of methyl 2-(2-((4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate?
The molecular weight of methyl 2-(2-((4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate is 403.08 g/mol.
Where can I buy methyl 2-(2-((4-ethyl-5-(pyridin-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-(pyridin-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-(pyridin-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-(pyridin-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.