Imidazole, 2-methyl-4-nitro-1-(phenoxyethyl)-
TL;DR: Imidazole, 2-methyl-4-nitro-1-(phenoxyethyl)- (CAS 16183-76-9) is a chemical compound with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-nitro-1-(2-phenoxyethyl)imidazole
Also Known As: Imidazole, 2-methyl-4-nitro-1-(phenoxyethyl)-, 2-Methyl-4-nitro-1-(phenoxyethyl)imidazole, 2-methyl-4-nitro-1-(2-phenoxyethyl)-1H-imidazole, 2-methyl-4-nitro-1-(2-phenoxyethyl)imidazole, 5-23-05-00079 (Beilstein Handbook Reference)
| Molecular Formula | C12H13N3O3 |
|---|---|
| Molecular Weight | 247.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.09569 |
| Heavy Atoms | 18 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 16183-76-9 |
|---|---|
| SMILES | CC1=NC(=CN1CCOC2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | MMIWYYDIEDIIGY-UHFFFAOYSA-N |
Product Overview
Imidazole, 2-methyl-4-nitro-1-(phenoxyethyl)- (CAS 16183-76-9), with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol. IUPAC: 2-methyl-4-nitro-1-(2-phenoxyethyl)imidazole.
Chemical Property Profile of Imidazole, 2-methyl-4-nitro-1-(phenoxyethyl)-
Property Insights of Imidazole, 2-methyl-4-nitro-1-(phenoxyethyl)-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imidazole, 2-methyl-4-nitro-1-(phenoxyethyl)-. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Imidazole, 2-methyl-4-nitro-1-(phenoxyethyl)-. Following Lipinski's Rule of Five, Imidazole, 2-methyl-4-nitro-1-(phenoxyethyl)- 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, 2-methyl-4-nitro-1-(phenoxyethyl)-?
The CAS number of Imidazole, 2-methyl-4-nitro-1-(phenoxyethyl)- is 16183-76-9.
What is the molecular formula of Imidazole, 2-methyl-4-nitro-1-(phenoxyethyl)-?
The molecular formula of Imidazole, 2-methyl-4-nitro-1-(phenoxyethyl)- is C12H13N3O3.
What is the molecular weight of Imidazole, 2-methyl-4-nitro-1-(phenoxyethyl)-?
The molecular weight of Imidazole, 2-methyl-4-nitro-1-(phenoxyethyl)- is 247.10 g/mol.
Where can I buy Imidazole, 2-methyl-4-nitro-1-(phenoxyethyl)-?
You can request a quote for Imidazole, 2-methyl-4-nitro-1-(phenoxyethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imidazole, 2-methyl-4-nitro-1-(phenoxyethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Imidazole, 2-methyl-4-nitro-1-(phenoxyethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.