ethyl 2-(1-methyl-1H-imidazol-2-yl)-2-oxoacetate
TL;DR: ethyl 2-(1-methyl-1H-imidazol-2-yl)-2-oxoacetate (CAS 31794-45-3) is a chemical compound with molecular formula C8H10N2O3 and molecular weight 182.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1-methylimidazol-2-yl)-2-oxoacetate
Also Known As: ethyl 2-(1-methyl-1H-imidazol-2-yl)-2-oxoacetate, (1-Methyl-1H-imidazol-2-yl)-oxo-acetic acid ethyl ester, ethyl 2-(1-methylimidazol-2-yl)-2-oxoacetate, BAS 11438274, ethyl (1-methyl-1H-imidazol-2-yl)(oxo)acetate
| Molecular Formula | C8H10N2O3 |
|---|---|
| Molecular Weight | 182.07 g/mol |
| LogP | 0.1659 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.06914 |
| Heavy Atoms | 13 |
| Complexity | 329.88507 |
Chemical Identifiers
| CAS Number | 31794-45-3 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=NC=CN1C |
Product Overview
ethyl 2-(1-methyl-1H-imidazol-2-yl)-2-oxoacetate (CAS 31794-45-3), with molecular formula C8H10N2O3 and molecular weight 182.07 g/mol. IUPAC: ethyl 2-(1-methylimidazol-2-yl)-2-oxoacetate.
Chemical Property Profile of ethyl 2-(1-methyl-1H-imidazol-2-yl)-2-oxoacetate
Property Insights of ethyl 2-(1-methyl-1H-imidazol-2-yl)-2-oxoacetate
The XLogP value of 0.1659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(1-methyl-1H-imidazol-2-yl)-2-oxoacetate. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(1-methyl-1H-imidazol-2-yl)-2-oxoacetate. Following Lipinski's Rule of Five, ethyl 2-(1-methyl-1H-imidazol-2-yl)-2-oxoacetate has 0 hydrogen bond donor(s) and 4 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-1H-imidazol-2-yl)-2-oxoacetate?
The CAS number of ethyl 2-(1-methyl-1H-imidazol-2-yl)-2-oxoacetate is 31794-45-3.
What is the molecular formula of ethyl 2-(1-methyl-1H-imidazol-2-yl)-2-oxoacetate?
The molecular formula of ethyl 2-(1-methyl-1H-imidazol-2-yl)-2-oxoacetate is C8H10N2O3.
What is the molecular weight of ethyl 2-(1-methyl-1H-imidazol-2-yl)-2-oxoacetate?
The molecular weight of ethyl 2-(1-methyl-1H-imidazol-2-yl)-2-oxoacetate is 182.07 g/mol.
Where can I buy ethyl 2-(1-methyl-1H-imidazol-2-yl)-2-oxoacetate?
You can request a quote for ethyl 2-(1-methyl-1H-imidazol-2-yl)-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-1H-imidazol-2-yl)-2-oxoacetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(1-methyl-1H-imidazol-2-yl)-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.