Cyclohexylphenylglycollylethyltriethylammonium
TL;DR: Cyclohexylphenylglycollylethyltriethylammonium (CAS 54535-68-1) is a chemical compound with molecular formula C22H36INO3 and molecular weight 489.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2S)-2-cyclohexyl-2-hydroxy-2-phenylacetyl]oxyethyl-triethylazanium iodide
Also Known As: Chpgetea, Cyclohexylphenylglycollylethyltriethylammonium, Ethanaminium, 2-((cyclohexylhydroxyphenylacetyl)oxy)-N,N,N-triethyl-, iodide, (S)-, 2-[(2S)-2-cyclohexyl-2-hydroxy-2-phenylacetyl]oxyethyl-triethylazanium;iodide, 2-{[(2s)-2-cyclohexyl-2-hydroxy-2-phenylacetyl]oxy}-n,n,n-triethylethanaminium iodide
| Molecular Formula | C22H36INO3 |
|---|---|
| Molecular Weight | 489.17 g/mol |
| LogP | 0.8782 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 489.17398 |
| Heavy Atoms | 27 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 54535-68-1 |
|---|---|
| SMILES | CC[N+](CC)(CC)CCOC(=O)[C@](C1CCCCC1)(C2=CC=CC=C2)O.[I-] |
| InChIKey | VIBNYXVYGOMPRZ-VZYDHVRKSA-M |
Product Overview
Cyclohexylphenylglycollylethyltriethylammonium (CAS 54535-68-1), with molecular formula C22H36INO3 and molecular weight 489.17 g/mol. IUPAC: 2-[(2S)-2-cyclohexyl-2-hydroxy-2-phenylacetyl]oxyethyl-triethylazanium iodide.
Chemical Property Profile of Cyclohexylphenylglycollylethyltriethylammonium
Property Insights of Cyclohexylphenylglycollylethyltriethylammonium
The XLogP value of 0.8782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexylphenylglycollylethyltriethylammonium. With a topological polar surface area (TPSA) of 46.5 Ų, Cyclohexylphenylglycollylethyltriethylammonium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexylphenylglycollylethyltriethylammonium 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 Cyclohexylphenylglycollylethyltriethylammonium?
The CAS number of Cyclohexylphenylglycollylethyltriethylammonium is 54535-68-1.
What is the molecular formula of Cyclohexylphenylglycollylethyltriethylammonium?
The molecular formula of Cyclohexylphenylglycollylethyltriethylammonium is C22H36INO3.
What is the molecular weight of Cyclohexylphenylglycollylethyltriethylammonium?
The molecular weight of Cyclohexylphenylglycollylethyltriethylammonium is 489.17 g/mol.
Where can I buy Cyclohexylphenylglycollylethyltriethylammonium?
You can request a quote for Cyclohexylphenylglycollylethyltriethylammonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexylphenylglycollylethyltriethylammonium?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexylphenylglycollylethyltriethylammonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.