5-nitro-1H-imidazole-2-carboxylic acid
TL;DR: 5-nitro-1H-imidazole-2-carboxylic acid (CAS 351990-51-7) is a chemical compound with molecular formula C4H3N3O4 and molecular weight 157.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-1H-imidazole-2-carboxylic acid
Also Known As: 5-nitro-1H-imidazole-2-carboxylic acid, Tinidazole impurity A, nitroimidazolecarboxylic, Ornidazole impurity 34, 5-nitroimidazole-2-carboxylic acid
| Molecular Formula | C4H3N3O4 |
|---|---|
| Molecular Weight | 157.01 g/mol |
| LogP | 0.0161 |
| Topological Polar Surface Area | 109.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 157.01236 |
| Heavy Atoms | 11 |
| Complexity | 275.54074 |
Chemical Identifiers
| CAS Number | 351990-51-7 |
|---|---|
| SMILES | C1=C(NC(=N1)C(=O)O)[N+](=O)[O-] |
Product Overview
5-nitro-1H-imidazole-2-carboxylic acid (CAS 351990-51-7), with molecular formula C4H3N3O4 and molecular weight 157.01 g/mol. IUPAC: 5-nitro-1H-imidazole-2-carboxylic acid.
Chemical Property Profile of 5-nitro-1H-imidazole-2-carboxylic acid
Property Insights of 5-nitro-1H-imidazole-2-carboxylic acid
The XLogP value of 0.0161 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-nitro-1H-imidazole-2-carboxylic acid. The TPSA of 109.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-nitro-1H-imidazole-2-carboxylic acid. Following Lipinski's Rule of Five, 5-nitro-1H-imidazole-2-carboxylic acid has 2 hydrogen bond donor(s) and 4 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 5-nitro-1H-imidazole-2-carboxylic acid?
The CAS number of 5-nitro-1H-imidazole-2-carboxylic acid is 351990-51-7.
What is the molecular formula of 5-nitro-1H-imidazole-2-carboxylic acid?
The molecular formula of 5-nitro-1H-imidazole-2-carboxylic acid is C4H3N3O4.
What is the molecular weight of 5-nitro-1H-imidazole-2-carboxylic acid?
The molecular weight of 5-nitro-1H-imidazole-2-carboxylic acid is 157.01 g/mol.
Where can I buy 5-nitro-1H-imidazole-2-carboxylic acid?
You can request a quote for 5-nitro-1H-imidazole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-nitro-1H-imidazole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-nitro-1H-imidazole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.