1-Ethenyl-3-methylimidazol-3-ium
TL;DR: 1-Ethenyl-3-methylimidazol-3-ium (CAS 45534-45-0) is a chemical compound with molecular formula C6H9N2+ and molecular weight 109.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethenyl-3-methylimidazol-3-ium
Also Known As: 1-ethenyl-3-methylimidazol-3-ium, 1-ethenyl-3-methyl-1h-imidazol-3-ium, 1-vinyl-3-methylimidazolium iodide, 3-Ethenyl-1-methyl-1H-imidazolium, 1-VINYL-3-METHYLIMIDAZOLIUM
| Molecular Formula | C6H9N2+ |
|---|---|
| Molecular Weight | 109.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 8.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 109.07658 |
| Heavy Atoms | 8 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 45534-45-0 |
|---|---|
| SMILES | C[N+]1=CN(C=C1)C=C |
| InChIKey | VPNMTSAIINVZTK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethenyl-3-methylimidazol-3-ium (CAS 45534-45-0), with molecular formula C6H9N2+ and molecular weight 109.08 g/mol. IUPAC: 1-ethenyl-3-methylimidazol-3-ium.
Chemical Property Profile of 1-Ethenyl-3-methylimidazol-3-ium
Property Insights of 1-Ethenyl-3-methylimidazol-3-ium
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethenyl-3-methylimidazol-3-ium. With a topological polar surface area (TPSA) of 8.8 Ų, 1-Ethenyl-3-methylimidazol-3-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethenyl-3-methylimidazol-3-ium has 0 hydrogen bond donor(s) and 0 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-Ethenyl-3-methylimidazol-3-ium?
The CAS number of 1-Ethenyl-3-methylimidazol-3-ium is 45534-45-0.
What is the molecular formula of 1-Ethenyl-3-methylimidazol-3-ium?
The molecular formula of 1-Ethenyl-3-methylimidazol-3-ium is C6H9N2+.
What is the molecular weight of 1-Ethenyl-3-methylimidazol-3-ium?
The molecular weight of 1-Ethenyl-3-methylimidazol-3-ium is 109.08 g/mol.
Where can I buy 1-Ethenyl-3-methylimidazol-3-ium?
You can request a quote for 1-Ethenyl-3-methylimidazol-3-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethenyl-3-methylimidazol-3-ium?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethenyl-3-methylimidazol-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.