5-ethyl-3-hydroxy-4,4-dimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium
TL;DR: 5-ethyl-3-hydroxy-4,4-dimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium (CAS 122981-77-5) is a chemical compound with molecular formula C13H18N2O2 and molecular weight 234.13683 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-ethyl-3-hydroxy-4,4-dimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium
Also Known As: AB00081404-01, 5-ethyl-3-hydroxy-4,4-dimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium, 4-ethyl-1-hydroxy-5,5-dimethyl-2-phenyl-2,5-dihydro-1H-imidazole 3-oxide, 4-ethyl-5,5-dimethyl-2-phenyl-2,5-dihydro-1H-imidazol-1-ol 3-oxide
Technical Specifications
| Molecular Formula | C13H18N2O2 |
| Molecular Weight | 234.13683 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 52.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.13683 Da |
| Heavy Atoms | 17 |
| Complexity | 319.0 |
| SMILES | CCC1=[N+](C(N(C1(C)C)O)C2=CC=CC=C2)[O-] |
| InChIKey | SQIPUOGHUWXIRH-UHFFFAOYSA-N |
Chemical Property Profile of 5-ethyl-3-hydroxy-4,4-dimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium
Property Insights of 5-ethyl-3-hydroxy-4,4-dimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-ethyl-3-hydroxy-4,4-dimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium. With a topological polar surface area (TPSA) of 52.2 Ų, 5-ethyl-3-hydroxy-4,4-dimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-ethyl-3-hydroxy-4,4-dimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-ethyl-3-hydroxy-4,4-dimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium?
The CAS number of 5-ethyl-3-hydroxy-4,4-dimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium is 122981-77-5.
What is the molecular formula of 5-ethyl-3-hydroxy-4,4-dimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium?
The molecular formula of 5-ethyl-3-hydroxy-4,4-dimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium is C13H18N2O2.
What is the molecular weight of 5-ethyl-3-hydroxy-4,4-dimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium?
The molecular weight of 5-ethyl-3-hydroxy-4,4-dimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium is 234.13683 g/mol.
Where can I buy 5-ethyl-3-hydroxy-4,4-dimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium?
You can request a quote for 5-ethyl-3-hydroxy-4,4-dimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-ethyl-3-hydroxy-4,4-dimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium?
Yes, CoreyChem provides custom synthesis services for 5-ethyl-3-hydroxy-4,4-dimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.