1-Methyl-4-nitro-5-imidazolyl-2-chloro-6-methylphenyl sulfone
TL;DR: 1-Methyl-4-nitro-5-imidazolyl-2-chloro-6-methylphenyl sulfone (CAS 131134-91-3) is a chemical compound with molecular formula C11H10ClN3O4S and molecular weight 315.00806 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(2-chloro-6-methylphenyl)sulfonyl-1-methyl-4-nitroimidazole
Also Known As: Mnicmps, 1-Methyl-4-nitro-5-imidazolyl-2-chloro-6-methylphenyl sulfone, 1H-Imidazole, 5-((2-chloro-6-methylphenyl)sulfonyl)-1-methyl-4-nitro-, 5-(2-chloro-6-methylphenyl)sulfonyl-1-methyl-4-nitroimidazole, 1-methyl-4-nitro-5-imidazolyl 2-chloro-6-methylphenyl sulfone
Technical Specifications
| Molecular Formula | C11H10ClN3O4S |
| Molecular Weight | 315.00806 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.00806 Da |
| Heavy Atoms | 20 |
| Complexity | 475.0 |
| SMILES | CC1=C(C(=CC=C1)Cl)S(=O)(=O)C2=C(N=CN2C)[N+](=O)[O-] |
| InChIKey | FMIVUKKSIFSQMV-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methyl-4-nitro-5-imidazolyl-2-chloro-6-methylphenyl sulfone
Property Insights of 1-Methyl-4-nitro-5-imidazolyl-2-chloro-6-methylphenyl sulfone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-nitro-5-imidazolyl-2-chloro-6-methylphenyl sulfone. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-4-nitro-5-imidazolyl-2-chloro-6-methylphenyl sulfone. Following Lipinski's Rule of Five, 1-Methyl-4-nitro-5-imidazolyl-2-chloro-6-methylphenyl sulfone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Methyl-4-nitro-5-imidazolyl-2-chloro-6-methylphenyl sulfone?
The CAS number of 1-Methyl-4-nitro-5-imidazolyl-2-chloro-6-methylphenyl sulfone is 131134-91-3.
What is the molecular formula of 1-Methyl-4-nitro-5-imidazolyl-2-chloro-6-methylphenyl sulfone?
The molecular formula of 1-Methyl-4-nitro-5-imidazolyl-2-chloro-6-methylphenyl sulfone is C11H10ClN3O4S.
What is the molecular weight of 1-Methyl-4-nitro-5-imidazolyl-2-chloro-6-methylphenyl sulfone?
The molecular weight of 1-Methyl-4-nitro-5-imidazolyl-2-chloro-6-methylphenyl sulfone is 315.00806 g/mol.
Where can I buy 1-Methyl-4-nitro-5-imidazolyl-2-chloro-6-methylphenyl sulfone?
You can request a quote for 1-Methyl-4-nitro-5-imidazolyl-2-chloro-6-methylphenyl sulfone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methyl-4-nitro-5-imidazolyl-2-chloro-6-methylphenyl sulfone?
Yes, CoreyChem provides custom synthesis services for 1-Methyl-4-nitro-5-imidazolyl-2-chloro-6-methylphenyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.