Ethyl 2-methyl-5-nitro-1H-imidazole-1-acetate
TL;DR: Ethyl 2-methyl-5-nitro-1H-imidazole-1-acetate (CAS 1016-40-6) is a chemical compound with molecular formula C8H11N3O4 and molecular weight 213.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-methyl-5-nitroimidazol-1-yl)acetate
Also Known As: Metronidazole Impurity 11, Metronidazole EP Impurity J, ethyl 2-(2-methyl-5-nitroimidazol-1-yl)acetate, IMIDAZOLE-1-ACETIC ACID, 2-METHYL-5-NITRO-, ETHYL ESTER, 2-Methyl-5-nitro-1H-imidazole-1-acetic acid ethyl ester
| Molecular Formula | C8H11N3O4 |
|---|---|
| Molecular Weight | 213.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.07495 |
| Heavy Atoms | 15 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 1016-40-6 |
|---|---|
| SMILES | CCOC(=O)CN1C(=NC=C1[N+](=O)[O-])C |
| InChIKey | CKGGIKOPFUMXET-UHFFFAOYSA-N |
Product Overview
Ethyl 2-methyl-5-nitro-1H-imidazole-1-acetate (CAS 1016-40-6), with molecular formula C8H11N3O4 and molecular weight 213.07 g/mol. IUPAC: ethyl 2-(2-methyl-5-nitroimidazol-1-yl)acetate.
Chemical Property Profile of Ethyl 2-methyl-5-nitro-1H-imidazole-1-acetate
Property Insights of Ethyl 2-methyl-5-nitro-1H-imidazole-1-acetate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methyl-5-nitro-1H-imidazole-1-acetate. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-methyl-5-nitro-1H-imidazole-1-acetate. Following Lipinski's Rule of Five, Ethyl 2-methyl-5-nitro-1H-imidazole-1-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
Frequently Asked Questions
What is the CAS number of Ethyl 2-methyl-5-nitro-1H-imidazole-1-acetate?
The CAS number of Ethyl 2-methyl-5-nitro-1H-imidazole-1-acetate is 1016-40-6.
What is the molecular formula of Ethyl 2-methyl-5-nitro-1H-imidazole-1-acetate?
The molecular formula of Ethyl 2-methyl-5-nitro-1H-imidazole-1-acetate is C8H11N3O4.
What is the molecular weight of Ethyl 2-methyl-5-nitro-1H-imidazole-1-acetate?
The molecular weight of Ethyl 2-methyl-5-nitro-1H-imidazole-1-acetate is 213.07 g/mol.
Where can I buy Ethyl 2-methyl-5-nitro-1H-imidazole-1-acetate?
You can request a quote for Ethyl 2-methyl-5-nitro-1H-imidazole-1-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-methyl-5-nitro-1H-imidazole-1-acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-5-nitro-1H-imidazole-1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.