1-Methyl-4-nitro-1H-imidazole-5-carboxylic acid
TL;DR: 1-Methyl-4-nitro-1H-imidazole-5-carboxylic acid (CAS 63347-22-8) is a chemical compound with molecular formula C5H5N3O4 and molecular weight 171.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-nitroimidazole-4-carboxylic acid
Also Known As: 1-Methyl-4-nitro-1H-imidazole-5-carboxylic acid, 3-methyl-5-nitroimidazole-4-carboxylic acid, ZERO/005837, 1-Methyl-4-nitro-5-imidazolecarboxylic Acid, 1-methyl-4-nitroimidazole-5-carboxylic acid
| Molecular Formula | C5H5N3O4 |
|---|---|
| Molecular Weight | 171.03 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.028 |
| Heavy Atoms | 12 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 63347-22-8 |
|---|---|
| SMILES | CN1C=NC(=C1C(=O)O)[N+](=O)[O-] |
| InChIKey | XYGGCGCFZDEPOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-4-nitro-1H-imidazole-5-carboxylic acid (CAS 63347-22-8), with molecular formula C5H5N3O4 and molecular weight 171.03 g/mol. IUPAC: 3-methyl-5-nitroimidazole-4-carboxylic acid.
Chemical Property Profile of 1-Methyl-4-nitro-1H-imidazole-5-carboxylic acid
Property Insights of 1-Methyl-4-nitro-1H-imidazole-5-carboxylic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-nitro-1H-imidazole-5-carboxylic acid. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-4-nitro-1H-imidazole-5-carboxylic acid. Following Lipinski's Rule of Five, 1-Methyl-4-nitro-1H-imidazole-5-carboxylic acid has 1 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 1-Methyl-4-nitro-1H-imidazole-5-carboxylic acid?
The CAS number of 1-Methyl-4-nitro-1H-imidazole-5-carboxylic acid is 63347-22-8.
What is the molecular formula of 1-Methyl-4-nitro-1H-imidazole-5-carboxylic acid?
The molecular formula of 1-Methyl-4-nitro-1H-imidazole-5-carboxylic acid is C5H5N3O4.
What is the molecular weight of 1-Methyl-4-nitro-1H-imidazole-5-carboxylic acid?
The molecular weight of 1-Methyl-4-nitro-1H-imidazole-5-carboxylic acid is 171.03 g/mol.
Where can I buy 1-Methyl-4-nitro-1H-imidazole-5-carboxylic acid?
You can request a quote for 1-Methyl-4-nitro-1H-imidazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-nitro-1H-imidazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-nitro-1H-imidazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.