2-Methyl-5-nitro-1-(2-phenoxyethyl)-1H-imidazole
TL;DR: 2-Methyl-5-nitro-1-(2-phenoxyethyl)-1H-imidazole (CAS 16156-92-6) 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-5-nitro-1-(2-phenoxyethyl)imidazole
Also Known As: Imidazole, 2-methyl-5-nitro-1-(phenoxyethyl)-, 2-Methyl-5-nitro-1-(phenoxyethyl)imidazole, ASN 15022432, 2-methyl-5-nitro-1-(2-phenoxyethyl)-1H-imidazole, 2-methyl-5-nitro-1-(2-phenoxyethyl)imidazole
| Molecular Formula | C12H13N3O3 |
|---|---|
| Molecular Weight | 247.10 g/mol |
| LogP | 2.0 |
| 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 | 16156-92-6 |
|---|---|
| SMILES | CC1=NC=C(N1CCOC2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | HGYKMJWNDXFZHC-UHFFFAOYSA-N |
Product Overview
2-Methyl-5-nitro-1-(2-phenoxyethyl)-1H-imidazole (CAS 16156-92-6), with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol. IUPAC: 2-methyl-5-nitro-1-(2-phenoxyethyl)imidazole.
Chemical Property Profile of 2-Methyl-5-nitro-1-(2-phenoxyethyl)-1H-imidazole
Property Insights of 2-Methyl-5-nitro-1-(2-phenoxyethyl)-1H-imidazole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-nitro-1-(2-phenoxyethyl)-1H-imidazole. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-5-nitro-1-(2-phenoxyethyl)-1H-imidazole. Following Lipinski's Rule of Five, 2-Methyl-5-nitro-1-(2-phenoxyethyl)-1H-imidazole 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-Methyl-5-nitro-1-(2-phenoxyethyl)-1H-imidazole?
The CAS number of 2-Methyl-5-nitro-1-(2-phenoxyethyl)-1H-imidazole is 16156-92-6.
What is the molecular formula of 2-Methyl-5-nitro-1-(2-phenoxyethyl)-1H-imidazole?
The molecular formula of 2-Methyl-5-nitro-1-(2-phenoxyethyl)-1H-imidazole is C12H13N3O3.
What is the molecular weight of 2-Methyl-5-nitro-1-(2-phenoxyethyl)-1H-imidazole?
The molecular weight of 2-Methyl-5-nitro-1-(2-phenoxyethyl)-1H-imidazole is 247.10 g/mol.
Where can I buy 2-Methyl-5-nitro-1-(2-phenoxyethyl)-1H-imidazole?
You can request a quote for 2-Methyl-5-nitro-1-(2-phenoxyethyl)-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-nitro-1-(2-phenoxyethyl)-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-nitro-1-(2-phenoxyethyl)-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.