2-Methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole
TL;DR: 2-Methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole (CAS 123617-72-1) is a chemical compound with molecular formula C11H11N3O4S and molecular weight 281.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole
Also Known As: ChemDiv1_020462, BAS 00463611, 2-methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole, 1-({5-nitro-2-methylphenyl}sulfonyl)-2-methyl-1H-imidazole, AB00086289-01
| Molecular Formula | C11H11N3O4S |
|---|---|
| Molecular Weight | 281.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.04703 |
| Heavy Atoms | 19 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 123617-72-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2C=CN=C2C |
| InChIKey | NEMMTQNKZIVLMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole (CAS 123617-72-1), with molecular formula C11H11N3O4S and molecular weight 281.05 g/mol. IUPAC: 2-methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole.
Chemical Property Profile of 2-Methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole
Property Insights of 2-Methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole. Following Lipinski's Rule of Five, 2-Methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole 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
Frequently Asked Questions
What is the CAS number of 2-Methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole?
The CAS number of 2-Methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole is 123617-72-1.
What is the molecular formula of 2-Methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole?
The molecular formula of 2-Methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole is C11H11N3O4S.
What is the molecular weight of 2-Methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole?
The molecular weight of 2-Methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole is 281.05 g/mol.
Where can I buy 2-Methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole?
You can request a quote for 2-Methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.