N-2-Ethylhexanoylimidazole
TL;DR: N-2-Ethylhexanoylimidazole (CAS 62615-83-2) is a chemical compound with molecular formula C11H18N2O and molecular weight 194.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-1-imidazol-1-ylhexan-1-one
Also Known As: N-2-Ethylhexanoylimidazole, 2-ethyl-1-imidazol-1-ylhexan-1-one, 2-Ethyl-1-(1H-imidazol-1-yl)hexan-1-one, 1-(2-Ethylhexanoyl)-1H-imidazole, 1-(2-Ethylhexanoyl)-1H-imidazole #
| Molecular Formula | C11H18N2O |
|---|---|
| Molecular Weight | 194.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.1419 |
| Heavy Atoms | 14 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 62615-83-2 |
|---|---|
| SMILES | CCCCC(CC)C(=O)N1C=CN=C1 |
| InChIKey | CZTMYMZFTBERHP-UHFFFAOYSA-N |
Product Overview
N-2-Ethylhexanoylimidazole (CAS 62615-83-2), with molecular formula C11H18N2O and molecular weight 194.14 g/mol. IUPAC: 2-ethyl-1-imidazol-1-ylhexan-1-one.
Chemical Property Profile of N-2-Ethylhexanoylimidazole
Property Insights of N-2-Ethylhexanoylimidazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-2-Ethylhexanoylimidazole. With a topological polar surface area (TPSA) of 34.9 Ų, N-2-Ethylhexanoylimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-2-Ethylhexanoylimidazole has 0 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 N-2-Ethylhexanoylimidazole?
The CAS number of N-2-Ethylhexanoylimidazole is 62615-83-2.
What is the molecular formula of N-2-Ethylhexanoylimidazole?
The molecular formula of N-2-Ethylhexanoylimidazole is C11H18N2O.
What is the molecular weight of N-2-Ethylhexanoylimidazole?
The molecular weight of N-2-Ethylhexanoylimidazole is 194.14 g/mol.
Where can I buy N-2-Ethylhexanoylimidazole?
You can request a quote for N-2-Ethylhexanoylimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-2-Ethylhexanoylimidazole?
Yes, KEHONG BIO provides custom synthesis services for N-2-Ethylhexanoylimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.