1-Methyl-2-nitro-5-(prop-1-en-2-yl)-1H-imidazole
TL;DR: 1-Methyl-2-nitro-5-(prop-1-en-2-yl)-1H-imidazole (CAS 64157-78-4) is a chemical compound with molecular formula C7H9N3O2 and molecular weight 167.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-nitro-5-prop-1-en-2-ylimidazole
Also Known As: 5-Isopropenyl-1-methyl-2-nitroimidazole, Imidazole, 5-isopropenyl-1-methyl-2-nitro-, 1-methyl-2-nitro-5-(prop-1-en-2-yl)-1h-imidazole, 1-Methyl-5-(1-methylvinyl)-2-nitro-1H-imidazole, 1-Methyl-5-(1-methylethenyl)-2-nitro-1H-imidazole
| Molecular Formula | C7H9N3O2 |
|---|---|
| Molecular Weight | 167.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.06947 |
| Heavy Atoms | 12 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 64157-78-4 |
|---|---|
| SMILES | CC(=C)C1=CN=C(N1C)[N+](=O)[O-] |
| InChIKey | WJJIYICPEUKHDG-UHFFFAOYSA-N |
Product Overview
1-Methyl-2-nitro-5-(prop-1-en-2-yl)-1H-imidazole (CAS 64157-78-4), with molecular formula C7H9N3O2 and molecular weight 167.07 g/mol. IUPAC: 1-methyl-2-nitro-5-prop-1-en-2-ylimidazole.
Chemical Property Profile of 1-Methyl-2-nitro-5-(prop-1-en-2-yl)-1H-imidazole
Property Insights of 1-Methyl-2-nitro-5-(prop-1-en-2-yl)-1H-imidazole
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-2-nitro-5-(prop-1-en-2-yl)-1H-imidazole. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-2-nitro-5-(prop-1-en-2-yl)-1H-imidazole. Following Lipinski's Rule of Five, 1-Methyl-2-nitro-5-(prop-1-en-2-yl)-1H-imidazole has 0 hydrogen bond donor(s) and 3 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-2-nitro-5-(prop-1-en-2-yl)-1H-imidazole?
The CAS number of 1-Methyl-2-nitro-5-(prop-1-en-2-yl)-1H-imidazole is 64157-78-4.
What is the molecular formula of 1-Methyl-2-nitro-5-(prop-1-en-2-yl)-1H-imidazole?
The molecular formula of 1-Methyl-2-nitro-5-(prop-1-en-2-yl)-1H-imidazole is C7H9N3O2.
What is the molecular weight of 1-Methyl-2-nitro-5-(prop-1-en-2-yl)-1H-imidazole?
The molecular weight of 1-Methyl-2-nitro-5-(prop-1-en-2-yl)-1H-imidazole is 167.07 g/mol.
Where can I buy 1-Methyl-2-nitro-5-(prop-1-en-2-yl)-1H-imidazole?
You can request a quote for 1-Methyl-2-nitro-5-(prop-1-en-2-yl)-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-nitro-5-(prop-1-en-2-yl)-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-nitro-5-(prop-1-en-2-yl)-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.