4-nitro-2-methyl-1-(3-methylbenzyl)-1H-imidazole
TL;DR: 4-nitro-2-methyl-1-(3-methylbenzyl)-1H-imidazole (CAS 720669-30-7) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-[(3-methylphenyl)methyl]-4-nitroimidazole
Also Known As: 4-nitro-2-methyl-1-(3-methylbenzyl)-1H-imidazole, 2-methyl-1-[(3-methylphenyl)methyl]-4-nitroimidazole, AA-504/34073011
| Molecular Formula | C12H13N3O2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 2.45644 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.10077 |
| Heavy Atoms | 17 |
| Complexity | 560.6284 |
Chemical Identifiers
| CAS Number | 720669-30-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C=C(N=C2C)[N+](=O)[O-] |
Product Overview
4-nitro-2-methyl-1-(3-methylbenzyl)-1H-imidazole (CAS 720669-30-7), with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol. IUPAC: 2-methyl-1-[(3-methylphenyl)methyl]-4-nitroimidazole.
Chemical Property Profile of 4-nitro-2-methyl-1-(3-methylbenzyl)-1H-imidazole
Property Insights of 4-nitro-2-methyl-1-(3-methylbenzyl)-1H-imidazole
The XLogP value of 2.45644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-nitro-2-methyl-1-(3-methylbenzyl)-1H-imidazole. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitro-2-methyl-1-(3-methylbenzyl)-1H-imidazole. Following Lipinski's Rule of Five, 4-nitro-2-methyl-1-(3-methylbenzyl)-1H-imidazole has 0 hydrogen bond donor(s) and 3 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 4-nitro-2-methyl-1-(3-methylbenzyl)-1H-imidazole?
The CAS number of 4-nitro-2-methyl-1-(3-methylbenzyl)-1H-imidazole is 720669-30-7.
What is the molecular formula of 4-nitro-2-methyl-1-(3-methylbenzyl)-1H-imidazole?
The molecular formula of 4-nitro-2-methyl-1-(3-methylbenzyl)-1H-imidazole is C12H13N3O2.
What is the molecular weight of 4-nitro-2-methyl-1-(3-methylbenzyl)-1H-imidazole?
The molecular weight of 4-nitro-2-methyl-1-(3-methylbenzyl)-1H-imidazole is 231.10 g/mol.
Where can I buy 4-nitro-2-methyl-1-(3-methylbenzyl)-1H-imidazole?
You can request a quote for 4-nitro-2-methyl-1-(3-methylbenzyl)-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitro-2-methyl-1-(3-methylbenzyl)-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 4-nitro-2-methyl-1-(3-methylbenzyl)-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.