Imidazole, 1-(cyanomethyl)-2-methyl-5-nitro-
TL;DR: Imidazole, 1-(cyanomethyl)-2-methyl-5-nitro- (CAS 1008-49-7) is a chemical compound with molecular formula C6H6N4O2 and molecular weight 166.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-5-nitroimidazol-1-yl)acetonitrile
Also Known As: Imidazole, 1-(cyanomethyl)-2-methyl-5-nitro-, 1-(Cyanomethyl)-2-methyl-5-nitroimidazole, 2-(2-methyl-5-nitroimidazol-1-yl)acetonitrile, 2-Methyl-5-nitro-1H-imidazole-1-acetonitrile, 5-23-05-00075 (Beilstein Handbook Reference)
| Molecular Formula | C6H6N4O2 |
|---|---|
| Molecular Weight | 166.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.04907 |
| Heavy Atoms | 12 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 1008-49-7 |
|---|---|
| SMILES | CC1=NC=C(N1CC#N)[N+](=O)[O-] |
| InChIKey | IYTZFCYXBYJPPR-UHFFFAOYSA-N |
Product Overview
Imidazole, 1-(cyanomethyl)-2-methyl-5-nitro- (CAS 1008-49-7), with molecular formula C6H6N4O2 and molecular weight 166.05 g/mol. IUPAC: 2-(2-methyl-5-nitroimidazol-1-yl)acetonitrile.
Chemical Property Profile of Imidazole, 1-(cyanomethyl)-2-methyl-5-nitro-
Property Insights of Imidazole, 1-(cyanomethyl)-2-methyl-5-nitro-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imidazole, 1-(cyanomethyl)-2-methyl-5-nitro-. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Imidazole, 1-(cyanomethyl)-2-methyl-5-nitro-. Following Lipinski's Rule of Five, Imidazole, 1-(cyanomethyl)-2-methyl-5-nitro- 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 Imidazole, 1-(cyanomethyl)-2-methyl-5-nitro-?
The CAS number of Imidazole, 1-(cyanomethyl)-2-methyl-5-nitro- is 1008-49-7.
What is the molecular formula of Imidazole, 1-(cyanomethyl)-2-methyl-5-nitro-?
The molecular formula of Imidazole, 1-(cyanomethyl)-2-methyl-5-nitro- is C6H6N4O2.
What is the molecular weight of Imidazole, 1-(cyanomethyl)-2-methyl-5-nitro-?
The molecular weight of Imidazole, 1-(cyanomethyl)-2-methyl-5-nitro- is 166.05 g/mol.
Where can I buy Imidazole, 1-(cyanomethyl)-2-methyl-5-nitro-?
You can request a quote for Imidazole, 1-(cyanomethyl)-2-methyl-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imidazole, 1-(cyanomethyl)-2-methyl-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Imidazole, 1-(cyanomethyl)-2-methyl-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.