1-Methyl-2-nitro-5-styrylimidazole
TL;DR: 1-Methyl-2-nitro-5-styrylimidazole (CAS 40361-82-8) is a chemical compound with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-nitro-5-(2-phenylethenyl)imidazole
Also Known As: 1-Methyl-2-nitro-5-styrylimidazole, 1H-Imidazole, 1-methyl-2-nitro-5-(2-phenylethenyl)-
| Molecular Formula | C12H11N3O2 |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.08513 |
| Heavy Atoms | 17 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 40361-82-8 |
|---|---|
| SMILES | CN1C(=CN=C1[N+](=O)[O-])C=CC2=CC=CC=C2 |
| InChIKey | WUKJZHIPZPZBLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-2-nitro-5-styrylimidazole (CAS 40361-82-8), with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol. IUPAC: 1-methyl-2-nitro-5-(2-phenylethenyl)imidazole.
Chemical Property Profile of 1-Methyl-2-nitro-5-styrylimidazole
Property Insights of 1-Methyl-2-nitro-5-styrylimidazole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-2-nitro-5-styrylimidazole. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-2-nitro-5-styrylimidazole. Following Lipinski's Rule of Five, 1-Methyl-2-nitro-5-styrylimidazole 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-Methyl-2-nitro-5-styrylimidazole?
The CAS number of 1-Methyl-2-nitro-5-styrylimidazole is 40361-82-8.
What is the molecular formula of 1-Methyl-2-nitro-5-styrylimidazole?
The molecular formula of 1-Methyl-2-nitro-5-styrylimidazole is C12H11N3O2.
What is the molecular weight of 1-Methyl-2-nitro-5-styrylimidazole?
The molecular weight of 1-Methyl-2-nitro-5-styrylimidazole is 229.09 g/mol.
Where can I buy 1-Methyl-2-nitro-5-styrylimidazole?
You can request a quote for 1-Methyl-2-nitro-5-styrylimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-nitro-5-styrylimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-nitro-5-styrylimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.