1-Methyl-5-(4-methylphenyl)sulfanyl-4-nitroimidazole
TL;DR: 1-Methyl-5-(4-methylphenyl)sulfanyl-4-nitroimidazole (CAS 18383-80-7) is a chemical compound with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-(4-methylphenyl)sulfanyl-4-nitroimidazole
Also Known As: 1-methyl-5-(4-methylphenyl)sulfanyl-4-nitroimidazole, 1-methyl-5-(4'-methylphenyl)thio-4-nitroimidazole, 4-nitro-1-methyl-5-[(4-methylphenyl)sulfanyl]-1H-imidazole, AJ-333/09215040
| Molecular Formula | C11H11N3O2S |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 2.78792 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.0572 |
| Heavy Atoms | 17 |
| Complexity | 548.34424 |
Chemical Identifiers
| CAS Number | 18383-80-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(N=CN2C)[N+](=O)[O-] |
Product Overview
1-Methyl-5-(4-methylphenyl)sulfanyl-4-nitroimidazole (CAS 18383-80-7), with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol. IUPAC: 1-methyl-5-(4-methylphenyl)sulfanyl-4-nitroimidazole.
Chemical Property Profile of 1-Methyl-5-(4-methylphenyl)sulfanyl-4-nitroimidazole
Property Insights of 1-Methyl-5-(4-methylphenyl)sulfanyl-4-nitroimidazole
The XLogP value of 2.78792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-5-(4-methylphenyl)sulfanyl-4-nitroimidazole. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-5-(4-methylphenyl)sulfanyl-4-nitroimidazole. Following Lipinski's Rule of Five, 1-Methyl-5-(4-methylphenyl)sulfanyl-4-nitroimidazole 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-Methyl-5-(4-methylphenyl)sulfanyl-4-nitroimidazole?
The CAS number of 1-Methyl-5-(4-methylphenyl)sulfanyl-4-nitroimidazole is 18383-80-7.
What is the molecular formula of 1-Methyl-5-(4-methylphenyl)sulfanyl-4-nitroimidazole?
The molecular formula of 1-Methyl-5-(4-methylphenyl)sulfanyl-4-nitroimidazole is C11H11N3O2S.
What is the molecular weight of 1-Methyl-5-(4-methylphenyl)sulfanyl-4-nitroimidazole?
The molecular weight of 1-Methyl-5-(4-methylphenyl)sulfanyl-4-nitroimidazole is 249.06 g/mol.
Where can I buy 1-Methyl-5-(4-methylphenyl)sulfanyl-4-nitroimidazole?
You can request a quote for 1-Methyl-5-(4-methylphenyl)sulfanyl-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-Methyl-5-(4-methylphenyl)sulfanyl-4-nitroimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-5-(4-methylphenyl)sulfanyl-4-nitroimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.