![1-[5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium-2-yl]ethanone structure](/static/products/828/82811-26-5.png)
1-[5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium-2-yl]ethanone
TL;DR: 1-[5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium-2-yl]ethanone (CAS 82811-26-5) is a chemical compound with molecular formula C14H17FN2O3 and molecular weight 280.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium-2-yl]ethanone
Also Known As: 1-[5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium-2-yl]ethanone, 1-[4-(4-fluorophenyl)-1-hydroxy-2,5,5-trimethyl-3-oxido-2,5-dihydro-1H-imidazol-2-yl]ethanone, 2-acetyl-4-(4-fluorophenyl)-1-hydroxy-2,5,5-trimethyl-2,5-dihydro-1H-imidazole 3-oxide, 2-ACETYL-4-(4-FLUOROPHENYL)-1-HYDROXY-2,5,5-TRIMETHYL-2,5-DIHYDRO-1H-IMIDAZOL-3-IUM-3-OLATE
| Molecular Formula | C14H17FN2O3 |
|---|---|
| Molecular Weight | 280.12 g/mol |
| LogP | 1.9137 |
| Topological Polar Surface Area | 66.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.1223 |
| Heavy Atoms | 20 |
| Complexity | 594.9415 |
Chemical Identifiers
| CAS Number | 82811-26-5 |
|---|---|
| SMILES | CC(=O)C1(N(C(C(=[N+]1[O-])C2=CC=C(C=C2)F)(C)C)O)C |
Product Overview
1-[5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium-2-yl]ethanone (CAS 82811-26-5), with molecular formula C14H17FN2O3 and molecular weight 280.12 g/mol. IUPAC: 1-[5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium-2-yl]ethanone.
Chemical Property Profile of 1-[5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium-2-yl]ethanone
Property Insights of 1-[5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium-2-yl]ethanone
The XLogP value of 1.9137 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium-2-yl]ethanone. The TPSA of 66.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium-2-yl]ethanone. Following Lipinski's Rule of Five, 1-[5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium-2-yl]ethanone has 1 hydrogen bond donor(s) and 4 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-[5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium-2-yl]ethanone?
The CAS number of 1-[5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium-2-yl]ethanone is 82811-26-5.
What is the molecular formula of 1-[5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium-2-yl]ethanone?
The molecular formula of 1-[5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium-2-yl]ethanone is C14H17FN2O3.
What is the molecular weight of 1-[5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium-2-yl]ethanone?
The molecular weight of 1-[5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium-2-yl]ethanone is 280.12 g/mol.
Where can I buy 1-[5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium-2-yl]ethanone?
You can request a quote for 1-[5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium-2-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium-2-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium-2-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.