1-Hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium
TL;DR: 1-Hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium (CAS 18390-00-6) 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.
1-hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium
Also Known As: ptio, 1-hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium, 2-Phenyl-4,4,5,5-tetra- methylimidazoline-1-oxyl-3-oxide, 2-Phenyl-4,4,5,5-tetra-methylimidazoline-1-oxyl-3-oxide, 2-phenyl-4,4,5,5-tetramethylimidazoline-1-oxyl 3-oxide
Technical Specifications
| Molecular Formula | C13H18N2O2 |
| Molecular Weight | 234.13683 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 52.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.13683 Da |
| Heavy Atoms | 17 |
| Complexity | 341.0 |
| SMILES | CC1(C([N+](=C(N1O)C2=CC=CC=C2)[O-])(C)C)C |
| InChIKey | MOKUQZKKYGQOCZ-UHFFFAOYSA-N |
Chemical Property Profile of 1-Hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium
Property Insights of 1-Hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium. With a topological polar surface area (TPSA) of 52.2 Ų, 1-Hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium has 1 hydrogen bond donor(s) and 2 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-Hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium?
The CAS number of 1-Hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium is 18390-00-6.
What is the molecular formula of 1-Hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium?
The molecular formula of 1-Hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium is C13H18N2O2.
What is the molecular weight of 1-Hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium?
The molecular weight of 1-Hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium is 234.13683 g/mol.
Where can I buy 1-Hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium?
You can request a quote for 1-Hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium?
Yes, CoreyChem provides custom synthesis services for 1-Hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.