1-甲基-2-硝基-1H-咪唑-5-甲酰胺
TL;DR: 1-甲基-2-硝基-1H-咪唑-5-甲酰胺 (CAS 83896-47-3) is a chemical compound with molecular formula C5H6N4O3 and molecular weight 170.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-甲基-2-硝基-1H-咪唑-5-甲酰胺
3-methyl-2-nitroimidazole-4-carboxamide
Also Known As: 3-methyl-2-nitroimidazole-4-carboxamide, 1-Methyl-2-nitro-1H-imidazole-5-carboxamide, 3-Methyl-2-nitro-imidazole-4-carboxamide
| Molecular Formula | C5H6N4O3 |
|---|---|
| Molecular Weight | 170.04 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.04399 |
| Heavy Atoms | 12 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 83896-47-3 |
|---|---|
| SMILES | CN1C(=CN=C1[N+](=O)[O-])C(=O)N |
| InChIKey | ARPXEQHMHPQYRO-UHFFFAOYSA-N |
Product Overview
1-甲基-2-硝基-1H-咪唑-5-甲酰胺 (CAS 83896-47-3), with molecular formula C5H6N4O3 and molecular weight 170.04 g/mol. IUPAC: 3-methyl-2-nitroimidazole-4-carboxamide.
Chemical Property Profile of 1-甲基-2-硝基-1H-咪唑-5-甲酰胺
Property Insights of 1-甲基-2-硝基-1H-咪唑-5-甲酰胺
The XLogP value of -0.5 indicates that 1-甲基-2-硝基-1H-咪唑-5-甲酰胺 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-甲基-2-硝基-1H-咪唑-5-甲酰胺. Following Lipinski's Rule of Five, 1-甲基-2-硝基-1H-咪唑-5-甲酰胺 has 1 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-甲基-2-硝基-1H-咪唑-5-甲酰胺?
The CAS number of 1-甲基-2-硝基-1H-咪唑-5-甲酰胺 is 83896-47-3.
What is the molecular formula of 1-甲基-2-硝基-1H-咪唑-5-甲酰胺?
The molecular formula of 1-甲基-2-硝基-1H-咪唑-5-甲酰胺 is C5H6N4O3.
What is the molecular weight of 1-甲基-2-硝基-1H-咪唑-5-甲酰胺?
The molecular weight of 1-甲基-2-硝基-1H-咪唑-5-甲酰胺 is 170.04 g/mol.
Where can I buy 1-甲基-2-硝基-1H-咪唑-5-甲酰胺?
You can request a quote for 1-甲基-2-硝基-1H-咪唑-5-甲酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-甲基-2-硝基-1H-咪唑-5-甲酰胺?
Yes, KEHONG BIO provides custom synthesis services for 1-甲基-2-硝基-1H-咪唑-5-甲酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.