2-(2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenylethan-1-one
TL;DR: 2-(2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenylethan-1-one (CAS 79456-88-5) is a chemical compound with molecular formula C12H11N3O3 and molecular weight 245.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-4-nitroimidazol-1-yl)-1-phenylethanone
Also Known As: Maybridge1_006683, 2-methyl-4-nitro-1-phenacylimidazole, 2-(2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenylethan-1-one, 2-(2-methyl-4-nitroimidazol-1-yl)-1-phenylethanone, 1-(2-Oxo-2-phenylethyl)-2-methyl-4-nitro-1H-imidazole
| Molecular Formula | C12H11N3O3 |
|---|---|
| Molecular Weight | 245.08 g/mol |
| LogP | 1.98262 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.08005 |
| Heavy Atoms | 18 |
| Complexity | 589.87006 |
Chemical Identifiers
| CAS Number | 79456-88-5 |
|---|---|
| SMILES | CC1=NC(=CN1CC(=O)C2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
2-(2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenylethan-1-one (CAS 79456-88-5), with molecular formula C12H11N3O3 and molecular weight 245.08 g/mol. IUPAC: 2-(2-methyl-4-nitroimidazol-1-yl)-1-phenylethanone.
Chemical Property Profile of 2-(2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenylethan-1-one
Property Insights of 2-(2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenylethan-1-one
The XLogP value of 1.98262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenylethan-1-one. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenylethan-1-one. Following Lipinski's Rule of Five, 2-(2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenylethan-1-one 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 2-(2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenylethan-1-one?
The CAS number of 2-(2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenylethan-1-one is 79456-88-5.
What is the molecular formula of 2-(2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenylethan-1-one?
The molecular formula of 2-(2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenylethan-1-one is C12H11N3O3.
What is the molecular weight of 2-(2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenylethan-1-one?
The molecular weight of 2-(2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenylethan-1-one is 245.08 g/mol.
Where can I buy 2-(2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenylethan-1-one?
You can request a quote for 2-(2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenylethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenylethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenylethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.