Acetylimidazole diethyl acetal
TL;DR: Acetylimidazole diethyl acetal (CAS 111456-84-9) is a chemical compound with molecular formula C9H16N2O2 and molecular weight 184.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,1-diethoxyethyl)imidazole
Also Known As: Acetylimidazole diethyl acetal, 1-(1,1-diethoxyethyl)imidazole, Acetylimidazole diethylacetal, 1-(1,1-diethoxyethyl)-1H-imidazole, 1H-Imidazole, 1-(1,1-diethoxyethyl)-
| Molecular Formula | C9H16N2O2 |
|---|---|
| Molecular Weight | 184.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 184.12119 |
| Heavy Atoms | 13 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 111456-84-9 |
|---|---|
| SMILES | CCOC(C)(N1C=CN=C1)OCC |
| InChIKey | WHHNCTBBIVAUTJ-UHFFFAOYSA-N |
Product Overview
Acetylimidazole diethyl acetal (CAS 111456-84-9), with molecular formula C9H16N2O2 and molecular weight 184.12 g/mol. IUPAC: 1-(1,1-diethoxyethyl)imidazole.
Chemical Property Profile of Acetylimidazole diethyl acetal
Property Insights of Acetylimidazole diethyl acetal
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetylimidazole diethyl acetal. With a topological polar surface area (TPSA) of 36.3 Ų, Acetylimidazole diethyl acetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetylimidazole diethyl acetal has 0 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 Acetylimidazole diethyl acetal?
The CAS number of Acetylimidazole diethyl acetal is 111456-84-9.
What is the molecular formula of Acetylimidazole diethyl acetal?
The molecular formula of Acetylimidazole diethyl acetal is C9H16N2O2.
What is the molecular weight of Acetylimidazole diethyl acetal?
The molecular weight of Acetylimidazole diethyl acetal is 184.12 g/mol.
Where can I buy Acetylimidazole diethyl acetal?
You can request a quote for Acetylimidazole diethyl acetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylimidazole diethyl acetal?
Yes, KEHONG BIO provides custom synthesis services for Acetylimidazole diethyl acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.