1-Methyl-5-nitroimidazole-4-carboxaldehyde
TL;DR: 1-Methyl-5-nitroimidazole-4-carboxaldehyde (CAS 85012-72-2) is a chemical compound with molecular formula C5H5N3O3 and molecular weight 155.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-nitroimidazole-4-carbaldehyde
Also Known As: 1-Methyl-5-nitroimidazole-4-carboxaldehyde, 1-methyl-5-nitroimidazole-4-carbaldehyde, 1-Methyl-5-nitro-1H-imidazole-4-carbaldehyde, 1-Methyl-5-nitro-1H-imidazole-4-carbaldehyde #
| Molecular Formula | C5H5N3O3 |
|---|---|
| Molecular Weight | 155.03 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.0331 |
| Heavy Atoms | 11 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 85012-72-2 |
|---|---|
| SMILES | CN1C=NC(=C1[N+](=O)[O-])C=O |
| InChIKey | RGNGHVNDIAAVQW-UHFFFAOYSA-N |
Product Overview
1-Methyl-5-nitroimidazole-4-carboxaldehyde (CAS 85012-72-2), with molecular formula C5H5N3O3 and molecular weight 155.03 g/mol. IUPAC: 1-methyl-5-nitroimidazole-4-carbaldehyde.
Chemical Property Profile of 1-Methyl-5-nitroimidazole-4-carboxaldehyde
Property Insights of 1-Methyl-5-nitroimidazole-4-carboxaldehyde
The XLogP value of -0.5 indicates that 1-Methyl-5-nitroimidazole-4-carboxaldehyde is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-5-nitroimidazole-4-carboxaldehyde. Following Lipinski's Rule of Five, 1-Methyl-5-nitroimidazole-4-carboxaldehyde has 0 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 1-Methyl-5-nitroimidazole-4-carboxaldehyde?
The CAS number of 1-Methyl-5-nitroimidazole-4-carboxaldehyde is 85012-72-2.
What is the molecular formula of 1-Methyl-5-nitroimidazole-4-carboxaldehyde?
The molecular formula of 1-Methyl-5-nitroimidazole-4-carboxaldehyde is C5H5N3O3.
What is the molecular weight of 1-Methyl-5-nitroimidazole-4-carboxaldehyde?
The molecular weight of 1-Methyl-5-nitroimidazole-4-carboxaldehyde is 155.03 g/mol.
Where can I buy 1-Methyl-5-nitroimidazole-4-carboxaldehyde?
You can request a quote for 1-Methyl-5-nitroimidazole-4-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-5-nitroimidazole-4-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-5-nitroimidazole-4-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.