![ethyl 2-{[1-methyl-5-(methylthio)-1H-1,2,4-triazol-3-yl]amino}-2-oxoacetate structure](/static/products/6484/648408-63-3.webp)
ethyl 2-{[1-methyl-5-(methylthio)-1H-1,2,4-triazol-3-yl]amino}-2-oxoacetate
TL;DR: ethyl 2-{[1-methyl-5-(methylthio)-1H-1,2,4-triazol-3-yl]amino}-2-oxoacetate (CAS 648408-63-3) is a chemical compound with molecular formula C8H12N4O3S and molecular weight 244.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)amino]-2-oxoacetate
Also Known As: ethyl 2-{[1-methyl-5-(methylthio)-1H-1,2,4-triazol-3-yl]amino}-2-oxoacetate, ethyl 2-[(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)amino]-2-oxoacetate, ethyl {[1-methyl-5-(methylsulfanyl)-1,2,4-triazol-3-yl]carbamoyl}formate, Ethyl {[1-methyl-5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}(oxo)acetate, ethyl {[1-methyl-5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]carbamoyl}formate
| Molecular Formula | C8H12N4O3S |
|---|---|
| Molecular Weight | 244.06 g/mol |
| LogP | 0.0386 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.06302 |
| Heavy Atoms | 16 |
| Complexity | 403.98773 |
Chemical Identifiers
| CAS Number | 648408-63-3 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1=NN(C(=N1)SC)C |
Product Overview
ethyl 2-{[1-methyl-5-(methylthio)-1H-1,2,4-triazol-3-yl]amino}-2-oxoacetate (CAS 648408-63-3), with molecular formula C8H12N4O3S and molecular weight 244.06 g/mol. IUPAC: ethyl 2-[(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)amino]-2-oxoacetate.
Chemical Property Profile of ethyl 2-{[1-methyl-5-(methylthio)-1H-1,2,4-triazol-3-yl]amino}-2-oxoacetate
Property Insights of ethyl 2-{[1-methyl-5-(methylthio)-1H-1,2,4-triazol-3-yl]amino}-2-oxoacetate
The XLogP value of 0.0386 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-{[1-methyl-5-(methylthio)-1H-1,2,4-triazol-3-yl]amino}-2-oxoacetate. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[1-methyl-5-(methylthio)-1H-1,2,4-triazol-3-yl]amino}-2-oxoacetate. Following Lipinski's Rule of Five, ethyl 2-{[1-methyl-5-(methylthio)-1H-1,2,4-triazol-3-yl]amino}-2-oxoacetate has 1 hydrogen bond donor(s) and 6 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-{[1-methyl-5-(methylthio)-1H-1,2,4-triazol-3-yl]amino}-2-oxoacetate?
The CAS number of ethyl 2-{[1-methyl-5-(methylthio)-1H-1,2,4-triazol-3-yl]amino}-2-oxoacetate is 648408-63-3.
What is the molecular formula of ethyl 2-{[1-methyl-5-(methylthio)-1H-1,2,4-triazol-3-yl]amino}-2-oxoacetate?
The molecular formula of ethyl 2-{[1-methyl-5-(methylthio)-1H-1,2,4-triazol-3-yl]amino}-2-oxoacetate is C8H12N4O3S.
What is the molecular weight of ethyl 2-{[1-methyl-5-(methylthio)-1H-1,2,4-triazol-3-yl]amino}-2-oxoacetate?
The molecular weight of ethyl 2-{[1-methyl-5-(methylthio)-1H-1,2,4-triazol-3-yl]amino}-2-oxoacetate is 244.06 g/mol.
Where can I buy ethyl 2-{[1-methyl-5-(methylthio)-1H-1,2,4-triazol-3-yl]amino}-2-oxoacetate?
You can request a quote for ethyl 2-{[1-methyl-5-(methylthio)-1H-1,2,4-triazol-3-yl]amino}-2-oxoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-{[1-methyl-5-(methylthio)-1H-1,2,4-triazol-3-yl]amino}-2-oxoacetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[1-methyl-5-(methylthio)-1H-1,2,4-triazol-3-yl]amino}-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.