ethyl 2-(2-methyl-1H-imidazol-5-yl)acetate
TL;DR: ethyl 2-(2-methyl-1H-imidazol-5-yl)acetate (CAS 812675-83-5) is a chemical compound with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-methyl-1H-imidazol-5-yl)acetate
Also Known As: ethyl 2-(2-methyl-1H-imidazol-4-yl)acetate, ethyl 2-(2-methyl-1H-imidazol-5-yl)acetate, Ethyl (2-methyl-1H-imidazol-5-yl)acetate, Ethyl 2-(2-methyl-3H-imidazol-4-yl)acetate
| Molecular Formula | C8H12N2O2 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | 0.82372 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.08987 |
| Heavy Atoms | 12 |
| Complexity | 267.77652 |
Chemical Identifiers
| CAS Number | 812675-83-5 |
|---|---|
| SMILES | CCOC(=O)CC1=CN=C(N1)C |
Product Overview
ethyl 2-(2-methyl-1H-imidazol-5-yl)acetate (CAS 812675-83-5), with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol. IUPAC: ethyl 2-(2-methyl-1H-imidazol-5-yl)acetate.
Chemical Property Profile of ethyl 2-(2-methyl-1H-imidazol-5-yl)acetate
Property Insights of ethyl 2-(2-methyl-1H-imidazol-5-yl)acetate
The XLogP value of 0.82372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(2-methyl-1H-imidazol-5-yl)acetate. With a topological polar surface area (TPSA) of 54.98 Ų, ethyl 2-(2-methyl-1H-imidazol-5-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-(2-methyl-1H-imidazol-5-yl)acetate has 1 hydrogen bond donor(s) and 3 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-(2-methyl-1H-imidazol-5-yl)acetate?
The CAS number of ethyl 2-(2-methyl-1H-imidazol-5-yl)acetate is 812675-83-5.
What is the molecular formula of ethyl 2-(2-methyl-1H-imidazol-5-yl)acetate?
The molecular formula of ethyl 2-(2-methyl-1H-imidazol-5-yl)acetate is C8H12N2O2.
What is the molecular weight of ethyl 2-(2-methyl-1H-imidazol-5-yl)acetate?
The molecular weight of ethyl 2-(2-methyl-1H-imidazol-5-yl)acetate is 168.09 g/mol.
Where can I buy ethyl 2-(2-methyl-1H-imidazol-5-yl)acetate?
You can request a quote for ethyl 2-(2-methyl-1H-imidazol-5-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(2-methyl-1H-imidazol-5-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2-methyl-1H-imidazol-5-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.