![ethyl 2-cyano-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]prop-2-enoate structure](/static/products/927/92765-69-0.png)
ethyl 2-cyano-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]prop-2-enoate
TL;DR: ethyl 2-cyano-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]prop-2-enoate (CAS 92765-69-0) is a chemical compound with molecular formula C9H11N5O2S and molecular weight 253.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]prop-2-enoate
Also Known As: ethyl 2-nitrilo-3-((4-methylthio(5H-2,3,5-triazolyl))amino)prop-2-enoate, ethyl 2-cyano-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]prop-2-enoate, Ethyl 2-cyano-3-[(5-methylsulfanyl-2H-1,2,4-triazol-3-yl)amino]prop-2-enoate
| Molecular Formula | C9H11N5O2S |
|---|---|
| Molecular Weight | 253.06 g/mol |
| LogP | 0.90908 |
| Topological Polar Surface Area | 103.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.06334 |
| Heavy Atoms | 17 |
| Complexity | 462.1964 |
Chemical Identifiers
| CAS Number | 92765-69-0 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=NC(=NN1)SC)C#N |
Product Overview
ethyl 2-cyano-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]prop-2-enoate (CAS 92765-69-0), with molecular formula C9H11N5O2S and molecular weight 253.06 g/mol. IUPAC: ethyl 2-cyano-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]prop-2-enoate.
Chemical Property Profile of ethyl 2-cyano-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]prop-2-enoate
Property Insights of ethyl 2-cyano-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]prop-2-enoate
The XLogP value of 0.90908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-cyano-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]prop-2-enoate. The TPSA of 103.69 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-cyano-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]prop-2-enoate. Following Lipinski's Rule of Five, ethyl 2-cyano-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]prop-2-enoate has 2 hydrogen bond donor(s) and 7 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-cyano-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]prop-2-enoate?
The CAS number of ethyl 2-cyano-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]prop-2-enoate is 92765-69-0.
What is the molecular formula of ethyl 2-cyano-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]prop-2-enoate?
The molecular formula of ethyl 2-cyano-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]prop-2-enoate is C9H11N5O2S.
What is the molecular weight of ethyl 2-cyano-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]prop-2-enoate?
The molecular weight of ethyl 2-cyano-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]prop-2-enoate is 253.06 g/mol.
Where can I buy ethyl 2-cyano-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]prop-2-enoate?
You can request a quote for ethyl 2-cyano-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-cyano-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-cyano-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.