1-(4-Methoxybenzyl)-4-nitro-1H-imidazole
TL;DR: 1-(4-Methoxybenzyl)-4-nitro-1H-imidazole (CAS 68019-66-9) is a chemical compound with molecular formula C11H11N3O3 and molecular weight 233.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-methoxyphenyl)methyl]-4-nitroimidazole
Also Known As: 1-(4-METHOXYBENZYL)-4-NITRO-1H-IMIDAZOLE, 1-[(4-methoxyphenyl)methyl]-4-nitroimidazole, BAS 00327569, 8015AE, 1H-Imidazole,1-[(4-methoxyphenyl)methyl]-4-nitro-
| Molecular Formula | C11H11N3O3 |
|---|---|
| Molecular Weight | 233.08 g/mol |
| LogP | 1.8482 |
| Topological Polar Surface Area | 70.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.08005 |
| Heavy Atoms | 17 |
| Complexity | 519.0129 |
Chemical Identifiers
| CAS Number | 68019-66-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C=C(N=C2)[N+](=O)[O-] |
Product Overview
1-(4-Methoxybenzyl)-4-nitro-1H-imidazole (CAS 68019-66-9), with molecular formula C11H11N3O3 and molecular weight 233.08 g/mol. IUPAC: 1-[(4-methoxyphenyl)methyl]-4-nitroimidazole.
Chemical Property Profile of 1-(4-Methoxybenzyl)-4-nitro-1H-imidazole
Property Insights of 1-(4-Methoxybenzyl)-4-nitro-1H-imidazole
The XLogP value of 1.8482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methoxybenzyl)-4-nitro-1H-imidazole. The TPSA of 70.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methoxybenzyl)-4-nitro-1H-imidazole. Following Lipinski's Rule of Five, 1-(4-Methoxybenzyl)-4-nitro-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 1-(4-Methoxybenzyl)-4-nitro-1H-imidazole?
The CAS number of 1-(4-Methoxybenzyl)-4-nitro-1H-imidazole is 68019-66-9.
What is the molecular formula of 1-(4-Methoxybenzyl)-4-nitro-1H-imidazole?
The molecular formula of 1-(4-Methoxybenzyl)-4-nitro-1H-imidazole is C11H11N3O3.
What is the molecular weight of 1-(4-Methoxybenzyl)-4-nitro-1H-imidazole?
The molecular weight of 1-(4-Methoxybenzyl)-4-nitro-1H-imidazole is 233.08 g/mol.
Where can I buy 1-(4-Methoxybenzyl)-4-nitro-1H-imidazole?
You can request a quote for 1-(4-Methoxybenzyl)-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-Methoxybenzyl)-4-nitro-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methoxybenzyl)-4-nitro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.