2-Acetylimidazole
TL;DR: 2-Acetylimidazole (CAS 5411-69-8) is a chemical compound with molecular formula C5H6N2O and molecular weight 110.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-imidazol-2-yl)ethanone
Also Known As: 2-acetylimidazole, 1-(1h-imidazol-2-yl)ethanone, Acetylimidazole, acetyl imidazole, 2-Acetyl-1H-imidazole
| Molecular Formula | C5H6N2O |
|---|---|
| Molecular Weight | 110.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 110.04801 |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 5411-69-8 |
|---|---|
| SMILES | CC(=O)C1=NC=CN1 |
| InChIKey | OSMJIXXVEWORDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Acetylimidazole (CAS 5411-69-8), with molecular formula C5H6N2O and molecular weight 110.05 g/mol. IUPAC: 1-(1H-imidazol-2-yl)ethanone.
Chemical Property Profile of 2-Acetylimidazole
Property Insights of 2-Acetylimidazole
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetylimidazole. With a topological polar surface area (TPSA) of 45.8 Ų, 2-Acetylimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetylimidazole 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
Frequently Asked Questions
What is the CAS number of 2-Acetylimidazole?
The CAS number of 2-Acetylimidazole is 5411-69-8.
What is the molecular formula of 2-Acetylimidazole?
The molecular formula of 2-Acetylimidazole is C5H6N2O.
What is the molecular weight of 2-Acetylimidazole?
The molecular weight of 2-Acetylimidazole is 110.05 g/mol.
Where can I buy 2-Acetylimidazole?
You can request a quote for 2-Acetylimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetylimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetylimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.