1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazole
TL;DR: 1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazole (CAS 342397-94-8) is a chemical compound with molecular formula C12H12N4O5 and molecular weight 292.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitroimidazole
Also Known As: AE-848/36913149, 1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazole, 1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitroimidazole, 1-(4-Methoxy-3-nitro-benzyl)-2-methyl-4-nitro-1H-imidazole, 4-nitro-1-{3-nitro-4-methoxybenzyl}-2-methyl-1H-imidazole
| Molecular Formula | C12H12N4O5 |
|---|---|
| Molecular Weight | 292.08 g/mol |
| LogP | 2.06482 |
| Topological Polar Surface Area | 113.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.08078 |
| Heavy Atoms | 21 |
| Complexity | 709.6685 |
Chemical Identifiers
| CAS Number | 342397-94-8 |
|---|---|
| SMILES | CC1=NC(=CN1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazole (CAS 342397-94-8), with molecular formula C12H12N4O5 and molecular weight 292.08 g/mol. IUPAC: 1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitroimidazole.
Chemical Property Profile of 1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazole
Property Insights of 1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazole
The XLogP value of 2.06482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazole. The TPSA of 113.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazole. Following Lipinski's Rule of Five, 1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazole has 0 hydrogen bond donor(s) and 6 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-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazole?
The CAS number of 1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazole is 342397-94-8.
What is the molecular formula of 1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazole?
The molecular formula of 1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazole is C12H12N4O5.
What is the molecular weight of 1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazole?
The molecular weight of 1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazole is 292.08 g/mol.
Where can I buy 1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazole?
You can request a quote for 1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-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-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.