Methyl 2-nitroimidazole-1-acetate
TL;DR: Methyl 2-nitroimidazole-1-acetate (CAS 22813-31-6) is a chemical compound with molecular formula C6H7N3O4 and molecular weight 185.04366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(2-nitroimidazol-1-yl)acetate
Also Known As: Methyl 2-nitroimidazole-1-acetate, Methyl 2-nitro-1-imidazoleacetate, methyl 2-(2-nitro-1H-imidazol-1-yl)acetate, methyl 2-(2-nitroimidazol-1-yl)acetate, 2-Nitro-1H-imidazole-1-acetic acid methyl ester
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H7N3O4 |
| Molecular Weight | 185.04366 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.04366 Da |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
| SMILES | COC(=O)CN1C=CN=C1[N+](=O)[O-] |
| InChIKey | KXEHVMQCOHOQHB-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-nitroimidazole-1-acetate
Property Insights of Methyl 2-nitroimidazole-1-acetate
The XLogP value of -0.1 indicates that Methyl 2-nitroimidazole-1-acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-nitroimidazole-1-acetate. Following Lipinski's Rule of Five, Methyl 2-nitroimidazole-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
What is the CAS number of Methyl 2-nitroimidazole-1-acetate?
The CAS number of Methyl 2-nitroimidazole-1-acetate is 22813-31-6.
What is the molecular formula of Methyl 2-nitroimidazole-1-acetate?
The molecular formula of Methyl 2-nitroimidazole-1-acetate is C6H7N3O4.
What is the molecular weight of Methyl 2-nitroimidazole-1-acetate?
The molecular weight of Methyl 2-nitroimidazole-1-acetate is 185.04366 g/mol.
Where can I buy Methyl 2-nitroimidazole-1-acetate?
You can request a quote for Methyl 2-nitroimidazole-1-acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-nitroimidazole-1-acetate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-nitroimidazole-1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.