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1-[(4-Chlorophenyl)methyl]-2-methyl-4-nitroimidazole
TL;DR: 1-[(4-Chlorophenyl)methyl]-2-methyl-4-nitroimidazole (CAS 68019-65-8) is a chemical compound with molecular formula C11H10ClN3O2 and molecular weight 251.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-2-methyl-4-nitroimidazole
Also Known As: 1-[(4-chlorophenyl)methyl]-2-methyl-4-nitroimidazole, 1-(4-Chloro-benzyl)-2-methyl-4-nitro-1H-imidazole, BAS 00288640, 1-(4-chlorobenzyl)-2-methyl-4-nitro-1H-imidazole, 1-(4-chlorobenzyl)-4-nitro-2-methyl-1H-imidazole
| Molecular Formula | C11H10ClN3O2 |
|---|---|
| Molecular Weight | 251.05 g/mol |
| LogP | 2.80142 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.04616 |
| Heavy Atoms | 17 |
| Complexity | 548.34424 |
Chemical Identifiers
| CAS Number | 68019-65-8 |
|---|---|
| SMILES | CC1=NC(=CN1CC2=CC=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
1-[(4-Chlorophenyl)methyl]-2-methyl-4-nitroimidazole (CAS 68019-65-8), with molecular formula C11H10ClN3O2 and molecular weight 251.05 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-2-methyl-4-nitroimidazole.
Chemical Property Profile of 1-[(4-Chlorophenyl)methyl]-2-methyl-4-nitroimidazole
Property Insights of 1-[(4-Chlorophenyl)methyl]-2-methyl-4-nitroimidazole
The XLogP value of 2.80142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-Chlorophenyl)methyl]-2-methyl-4-nitroimidazole. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-Chlorophenyl)methyl]-2-methyl-4-nitroimidazole. Following Lipinski's Rule of Five, 1-[(4-Chlorophenyl)methyl]-2-methyl-4-nitroimidazole 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 1-[(4-Chlorophenyl)methyl]-2-methyl-4-nitroimidazole?
The CAS number of 1-[(4-Chlorophenyl)methyl]-2-methyl-4-nitroimidazole is 68019-65-8.
What is the molecular formula of 1-[(4-Chlorophenyl)methyl]-2-methyl-4-nitroimidazole?
The molecular formula of 1-[(4-Chlorophenyl)methyl]-2-methyl-4-nitroimidazole is C11H10ClN3O2.
What is the molecular weight of 1-[(4-Chlorophenyl)methyl]-2-methyl-4-nitroimidazole?
The molecular weight of 1-[(4-Chlorophenyl)methyl]-2-methyl-4-nitroimidazole is 251.05 g/mol.
Where can I buy 1-[(4-Chlorophenyl)methyl]-2-methyl-4-nitroimidazole?
You can request a quote for 1-[(4-Chlorophenyl)methyl]-2-methyl-4-nitroimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-Chlorophenyl)methyl]-2-methyl-4-nitroimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-Chlorophenyl)methyl]-2-methyl-4-nitroimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.