3-hydroxy-4,4,5-trimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium
TL;DR: 3-hydroxy-4,4,5-trimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium (CAS 155126-76-4) is a chemical compound with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-4,4,5-trimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium
Also Known As: AB00081411-01, 1-hydroxy-4,5,5-trimethyl-2-phenyl-3-imidazolin-3-oxide, 3-hydroxy-4,4,5-trimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium, 4,5,5-trimethyl-2-phenyl-2,5-dihydro-1H-imidazol-1-ol 3-oxide, 1-hydroxy-4,5,5-trimethyl-2-phenyl-2,5-dihydro-1H-imidazole 3-oxide
| Molecular Formula | C12H16N2O2 |
|---|---|
| Molecular Weight | 220.12 g/mol |
| LogP | 2.1398 |
| Topological Polar Surface Area | 49.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.12119 |
| Heavy Atoms | 16 |
| Complexity | 425.90472 |
Chemical Identifiers
| CAS Number | 155126-76-4 |
|---|---|
| SMILES | CC1=[N+](C(N(C1(C)C)O)C2=CC=CC=C2)[O-] |
Product Overview
3-hydroxy-4,4,5-trimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium (CAS 155126-76-4), with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol. IUPAC: 3-hydroxy-4,4,5-trimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium.
Chemical Property Profile of 3-hydroxy-4,4,5-trimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium
Property Insights of 3-hydroxy-4,4,5-trimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium
The XLogP value of 2.1398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-hydroxy-4,4,5-trimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium. With a topological polar surface area (TPSA) of 49.54 Ų, 3-hydroxy-4,4,5-trimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-hydroxy-4,4,5-trimethyl-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
Frequently Asked Questions
What is the CAS number of 3-hydroxy-4,4,5-trimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium?
The CAS number of 3-hydroxy-4,4,5-trimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium is 155126-76-4.
What is the molecular formula of 3-hydroxy-4,4,5-trimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium?
The molecular formula of 3-hydroxy-4,4,5-trimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium is C12H16N2O2.
What is the molecular weight of 3-hydroxy-4,4,5-trimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium?
The molecular weight of 3-hydroxy-4,4,5-trimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium is 220.12 g/mol.
Where can I buy 3-hydroxy-4,4,5-trimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium?
You can request a quote for 3-hydroxy-4,4,5-trimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-hydroxy-4,4,5-trimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxy-4,4,5-trimethyl-1-oxido-2-phenyl-2H-imidazol-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.