2-((Cyclohexyl(phenyl)acetyl)oxy)-N,N-diethyl-N-methylethan-1-aminium iodide
TL;DR: 2-((Cyclohexyl(phenyl)acetyl)oxy)-N,N-diethyl-N-methylethan-1-aminium iodide (CAS 3486-38-2) is a chemical compound with molecular formula C21H34INO2 and molecular weight 459.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-cyclohexyl-2-phenylacetyl)oxyethyl-diethyl-methylazanium iodide
Also Known As: NIOSH/BP7649700, NIOSH/BP7649800, (+)-Diethyl(2-hydroxyethyl)methylammonium iodide alpha-phenylcyclohexaneglycolate, 2-(2-cyclohexyl-2-phenylacetyl)oxyethyl-diethyl-methylazanium iodide, (-)-Diethyl(2-hydroxyethyl)methylammonium iodide alpha-phenylcyclohexaneacetate
| Molecular Formula | C21H34INO2 |
|---|---|
| Molecular Weight | 459.16 g/mol |
| LogP | 1.38 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 459.16342 |
| Heavy Atoms | 25 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 3486-38-2 |
|---|---|
| SMILES | CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)C2=CC=CC=C2.[I-] |
| InChIKey | QJOWGAHHRDLCBC-UHFFFAOYSA-M |
Product Overview
2-((Cyclohexyl(phenyl)acetyl)oxy)-N,N-diethyl-N-methylethan-1-aminium iodide (CAS 3486-38-2), with molecular formula C21H34INO2 and molecular weight 459.16 g/mol. IUPAC: 2-(2-cyclohexyl-2-phenylacetyl)oxyethyl-diethyl-methylazanium iodide.
Chemical Property Profile of 2-((Cyclohexyl(phenyl)acetyl)oxy)-N,N-diethyl-N-methylethan-1-aminium iodide
Property Insights of 2-((Cyclohexyl(phenyl)acetyl)oxy)-N,N-diethyl-N-methylethan-1-aminium iodide
The XLogP value of 1.38 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((Cyclohexyl(phenyl)acetyl)oxy)-N,N-diethyl-N-methylethan-1-aminium iodide. With a topological polar surface area (TPSA) of 26.3 Ų, 2-((Cyclohexyl(phenyl)acetyl)oxy)-N,N-diethyl-N-methylethan-1-aminium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((Cyclohexyl(phenyl)acetyl)oxy)-N,N-diethyl-N-methylethan-1-aminium iodide 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 2-((Cyclohexyl(phenyl)acetyl)oxy)-N,N-diethyl-N-methylethan-1-aminium iodide?
The CAS number of 2-((Cyclohexyl(phenyl)acetyl)oxy)-N,N-diethyl-N-methylethan-1-aminium iodide is 3486-38-2.
What is the molecular formula of 2-((Cyclohexyl(phenyl)acetyl)oxy)-N,N-diethyl-N-methylethan-1-aminium iodide?
The molecular formula of 2-((Cyclohexyl(phenyl)acetyl)oxy)-N,N-diethyl-N-methylethan-1-aminium iodide is C21H34INO2.
What is the molecular weight of 2-((Cyclohexyl(phenyl)acetyl)oxy)-N,N-diethyl-N-methylethan-1-aminium iodide?
The molecular weight of 2-((Cyclohexyl(phenyl)acetyl)oxy)-N,N-diethyl-N-methylethan-1-aminium iodide is 459.16 g/mol.
Where can I buy 2-((Cyclohexyl(phenyl)acetyl)oxy)-N,N-diethyl-N-methylethan-1-aminium iodide?
You can request a quote for 2-((Cyclohexyl(phenyl)acetyl)oxy)-N,N-diethyl-N-methylethan-1-aminium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((Cyclohexyl(phenyl)acetyl)oxy)-N,N-diethyl-N-methylethan-1-aminium iodide?
Yes, KEHONG BIO provides custom synthesis services for 2-((Cyclohexyl(phenyl)acetyl)oxy)-N,N-diethyl-N-methylethan-1-aminium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.