![ethyl 4-cyano-3-methyl-5-{[(4H-1,2,4-triazol-3-ylthio)acetyl]amino}-2-thiophenecarboxylate structure](/static/products/693/693266-23-8.png)
ethyl 4-cyano-3-methyl-5-{[(4H-1,2,4-triazol-3-ylthio)acetyl]amino}-2-thiophenecarboxylate
TL;DR: ethyl 4-cyano-3-methyl-5-{[(4H-1,2,4-triazol-3-ylthio)acetyl]amino}-2-thiophenecarboxylate (CAS 693266-23-8) is a chemical compound with molecular formula C13H13N5O3S2 and molecular weight 351.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-cyano-3-methyl-5-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate
Also Known As: ethyl 4-cyano-3-methyl-5-{[(4H-1,2,4-triazol-3-ylthio)acetyl]amino}-2-thiophenecarboxylate, ethyl 4-cyano-3-methyl-5-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate, 4-cyano-3-methyl-5-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]-2-thiophenecarboxylic acid ethyl ester, 4-cyano-3-methyl-5-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]thiophene-2-carboxylic acid ethyl ester, ethyl 4-cyano-3-methyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]thiophene-2-carboxylate
| Molecular Formula | C13H13N5O3S2 |
|---|---|
| Molecular Weight | 351.05 g/mol |
| LogP | 1.9538 |
| Topological Polar Surface Area | 120.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.046 |
| Heavy Atoms | 23 |
| Complexity | 748.4933 |
Chemical Identifiers
| CAS Number | 693266-23-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC=NN2)C#N)C |
Product Overview
ethyl 4-cyano-3-methyl-5-{[(4H-1,2,4-triazol-3-ylthio)acetyl]amino}-2-thiophenecarboxylate (CAS 693266-23-8), with molecular formula C13H13N5O3S2 and molecular weight 351.05 g/mol. IUPAC: ethyl 4-cyano-3-methyl-5-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate.
Chemical Property Profile of ethyl 4-cyano-3-methyl-5-{[(4H-1,2,4-triazol-3-ylthio)acetyl]amino}-2-thiophenecarboxylate
Property Insights of ethyl 4-cyano-3-methyl-5-{[(4H-1,2,4-triazol-3-ylthio)acetyl]amino}-2-thiophenecarboxylate
The XLogP value of 1.9538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-cyano-3-methyl-5-{[(4H-1,2,4-triazol-3-ylthio)acetyl]amino}-2-thiophenecarboxylate. The TPSA of 120.76 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-cyano-3-methyl-5-{[(4H-1,2,4-triazol-3-ylthio)acetyl]amino}-2-thiophenecarboxylate. Following Lipinski's Rule of Five, ethyl 4-cyano-3-methyl-5-{[(4H-1,2,4-triazol-3-ylthio)acetyl]amino}-2-thiophenecarboxylate has 2 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 ethyl 4-cyano-3-methyl-5-{[(4H-1,2,4-triazol-3-ylthio)acetyl]amino}-2-thiophenecarboxylate?
The CAS number of ethyl 4-cyano-3-methyl-5-{[(4H-1,2,4-triazol-3-ylthio)acetyl]amino}-2-thiophenecarboxylate is 693266-23-8.
What is the molecular formula of ethyl 4-cyano-3-methyl-5-{[(4H-1,2,4-triazol-3-ylthio)acetyl]amino}-2-thiophenecarboxylate?
The molecular formula of ethyl 4-cyano-3-methyl-5-{[(4H-1,2,4-triazol-3-ylthio)acetyl]amino}-2-thiophenecarboxylate is C13H13N5O3S2.
What is the molecular weight of ethyl 4-cyano-3-methyl-5-{[(4H-1,2,4-triazol-3-ylthio)acetyl]amino}-2-thiophenecarboxylate?
The molecular weight of ethyl 4-cyano-3-methyl-5-{[(4H-1,2,4-triazol-3-ylthio)acetyl]amino}-2-thiophenecarboxylate is 351.05 g/mol.
Where can I buy ethyl 4-cyano-3-methyl-5-{[(4H-1,2,4-triazol-3-ylthio)acetyl]amino}-2-thiophenecarboxylate?
You can request a quote for ethyl 4-cyano-3-methyl-5-{[(4H-1,2,4-triazol-3-ylthio)acetyl]amino}-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-cyano-3-methyl-5-{[(4H-1,2,4-triazol-3-ylthio)acetyl]amino}-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-cyano-3-methyl-5-{[(4H-1,2,4-triazol-3-ylthio)acetyl]amino}-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.