1H-Imidazole-1-acetic acid, 5-ethyl-2-nitro-, ethyl ester
TL;DR: 1H-Imidazole-1-acetic acid, 5-ethyl-2-nitro-, ethyl ester (CAS 23571-54-2) is a chemical compound with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(5-ethyl-2-nitroimidazol-1-yl)acetate
Also Known As: 1H-Imidazole-1-acetic acid, 5-ethyl-2-nitro-, ethyl ester, 5-23-05-00171 (Beilstein Handbook Reference), Imidazole-1-acetic acid, 5-ethyl-2-nitro-, ethyl ester, ethyl 2-(5-ethyl-2-nitroimidazol-1-yl)acetate, ethyl (5-ethyl-2-nitro-1H-imidazol-1-yl)acetate
| Molecular Formula | C9H13N3O4 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.0906 |
| Heavy Atoms | 16 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 23571-54-2 |
|---|---|
| SMILES | CCC1=CN=C(N1CC(=O)OCC)[N+](=O)[O-] |
| InChIKey | OVKDZRWGBXJOPR-UHFFFAOYSA-N |
Product Overview
1H-Imidazole-1-acetic acid, 5-ethyl-2-nitro-, ethyl ester (CAS 23571-54-2), with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol. IUPAC: ethyl 2-(5-ethyl-2-nitroimidazol-1-yl)acetate.
Chemical Property Profile of 1H-Imidazole-1-acetic acid, 5-ethyl-2-nitro-, ethyl ester
Property Insights of 1H-Imidazole-1-acetic acid, 5-ethyl-2-nitro-, ethyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole-1-acetic acid, 5-ethyl-2-nitro-, ethyl ester. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole-1-acetic acid, 5-ethyl-2-nitro-, ethyl ester. Following Lipinski's Rule of Five, 1H-Imidazole-1-acetic acid, 5-ethyl-2-nitro-, ethyl ester 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
Frequently Asked Questions
What is the CAS number of 1H-Imidazole-1-acetic acid, 5-ethyl-2-nitro-, ethyl ester?
The CAS number of 1H-Imidazole-1-acetic acid, 5-ethyl-2-nitro-, ethyl ester is 23571-54-2.
What is the molecular formula of 1H-Imidazole-1-acetic acid, 5-ethyl-2-nitro-, ethyl ester?
The molecular formula of 1H-Imidazole-1-acetic acid, 5-ethyl-2-nitro-, ethyl ester is C9H13N3O4.
What is the molecular weight of 1H-Imidazole-1-acetic acid, 5-ethyl-2-nitro-, ethyl ester?
The molecular weight of 1H-Imidazole-1-acetic acid, 5-ethyl-2-nitro-, ethyl ester is 227.09 g/mol.
Where can I buy 1H-Imidazole-1-acetic acid, 5-ethyl-2-nitro-, ethyl ester?
You can request a quote for 1H-Imidazole-1-acetic acid, 5-ethyl-2-nitro-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole-1-acetic acid, 5-ethyl-2-nitro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole-1-acetic acid, 5-ethyl-2-nitro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.