ethyl 2-(2-nitro-1H-imidazol-1-yl)acetate
TL;DR: ethyl 2-(2-nitro-1H-imidazol-1-yl)acetate (CAS 161490-37-5) is a chemical compound with molecular formula C7H9N3O4 and molecular weight 199.05931 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(2-nitroimidazol-1-yl)acetate
Also Known As: ethyl 2-(2-nitroimidazol-1-yl)acetate, Ethyl (2-nitro-1H-imidazol-1-yl)acetate, ethyl 2-(2nitro-1H-imidazol-1-yl)acetate, ethyl 2-(2-nitro-1H-imidazol-1-yl)acetate, ethyl-2-(2-nitro-1H-imidazol-1-yl)acetate
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H9N3O4 |
| Molecular Weight | 199.05931 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 199.05931 Da |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
| SMILES | CCOC(=O)CN1C=CN=C1[N+](=O)[O-] |
| InChIKey | WUXFNUFFOCOHGY-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 2-(2-nitro-1H-imidazol-1-yl)acetate
Property Insights of ethyl 2-(2-nitro-1H-imidazol-1-yl)acetate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(2-nitro-1H-imidazol-1-yl)acetate. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(2-nitro-1H-imidazol-1-yl)acetate. Following Lipinski's Rule of Five, ethyl 2-(2-nitro-1H-imidazol-1-yl)acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ethyl 2-(2-nitro-1H-imidazol-1-yl)acetate?
The CAS number of ethyl 2-(2-nitro-1H-imidazol-1-yl)acetate is 161490-37-5.
What is the molecular formula of ethyl 2-(2-nitro-1H-imidazol-1-yl)acetate?
The molecular formula of ethyl 2-(2-nitro-1H-imidazol-1-yl)acetate is C7H9N3O4.
What is the molecular weight of ethyl 2-(2-nitro-1H-imidazol-1-yl)acetate?
The molecular weight of ethyl 2-(2-nitro-1H-imidazol-1-yl)acetate is 199.05931 g/mol.
Where can I buy ethyl 2-(2-nitro-1H-imidazol-1-yl)acetate?
You can request a quote for ethyl 2-(2-nitro-1H-imidazol-1-yl)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 2-(2-nitro-1H-imidazol-1-yl)acetate?
Yes, CoreyChem provides custom synthesis services for ethyl 2-(2-nitro-1H-imidazol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.