1-(1-methyl-4-nitro-1H-imidazol-5-yl)azepane
TL;DR: 1-(1-methyl-4-nitro-1H-imidazol-5-yl)azepane (CAS 282108-93-4) is a chemical compound with molecular formula C10H16N4O2 and molecular weight 224.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methyl-5-nitroimidazol-4-yl)azepane
Also Known As: 1-(3-methyl-5-nitroimidazol-4-yl)azepane, 1-(1-methyl-4-nitro-1H-imidazol-5-yl)azepane, 1-(3-methyl-5-nitro-imidazol-4-yl)azepane
| Molecular Formula | C10H16N4O2 |
|---|---|
| Molecular Weight | 224.13 g/mol |
| LogP | 1.7087 |
| Topological Polar Surface Area | 64.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.12732 |
| Heavy Atoms | 16 |
| Complexity | 380.17078 |
Chemical Identifiers
| CAS Number | 282108-93-4 |
|---|---|
| SMILES | CN1C=NC(=C1N2CCCCCC2)[N+](=O)[O-] |
Product Overview
1-(1-methyl-4-nitro-1H-imidazol-5-yl)azepane (CAS 282108-93-4), with molecular formula C10H16N4O2 and molecular weight 224.13 g/mol. IUPAC: 1-(3-methyl-5-nitroimidazol-4-yl)azepane.
Chemical Property Profile of 1-(1-methyl-4-nitro-1H-imidazol-5-yl)azepane
Property Insights of 1-(1-methyl-4-nitro-1H-imidazol-5-yl)azepane
The XLogP value of 1.7087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-methyl-4-nitro-1H-imidazol-5-yl)azepane. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-methyl-4-nitro-1H-imidazol-5-yl)azepane. Following Lipinski's Rule of Five, 1-(1-methyl-4-nitro-1H-imidazol-5-yl)azepane 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-(1-methyl-4-nitro-1H-imidazol-5-yl)azepane?
The CAS number of 1-(1-methyl-4-nitro-1H-imidazol-5-yl)azepane is 282108-93-4.
What is the molecular formula of 1-(1-methyl-4-nitro-1H-imidazol-5-yl)azepane?
The molecular formula of 1-(1-methyl-4-nitro-1H-imidazol-5-yl)azepane is C10H16N4O2.
What is the molecular weight of 1-(1-methyl-4-nitro-1H-imidazol-5-yl)azepane?
The molecular weight of 1-(1-methyl-4-nitro-1H-imidazol-5-yl)azepane is 224.13 g/mol.
Where can I buy 1-(1-methyl-4-nitro-1H-imidazol-5-yl)azepane?
You can request a quote for 1-(1-methyl-4-nitro-1H-imidazol-5-yl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-methyl-4-nitro-1H-imidazol-5-yl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-methyl-4-nitro-1H-imidazol-5-yl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.