1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)-1-ethylpiperidin-1-ium iodide
TL;DR: 1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)-1-ethylpiperidin-1-ium iodide (CAS 32381-64-9) is a chemical compound with molecular formula C22H36INO and molecular weight 457.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyl-3-(1-ethylpiperidin-1-ium-1-yl)-1-phenylpropan-1-ol iodide
Also Known As: (-)-Benzhexol ethyl iodide, (+)-Benzhexol ethyl iodide, (+-)-Benzhexol ethyl iodide, NIOSH/TN4724480, (-)-1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)-1-ethylpiperidinium iodide
| Molecular Formula | C22H36INO |
|---|---|
| Molecular Weight | 457.18 g/mol |
| LogP | 1.8692 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.18417 |
| Heavy Atoms | 25 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 32381-64-9 |
|---|---|
| SMILES | CC[N+]1(CCCCC1)CCC(C2CCCCC2)(C3=CC=CC=C3)O.[I-] |
| InChIKey | GPBPZUUQDMXAPV-UHFFFAOYSA-M |
Product Overview
1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)-1-ethylpiperidin-1-ium iodide (CAS 32381-64-9), with molecular formula C22H36INO and molecular weight 457.18 g/mol. IUPAC: 1-cyclohexyl-3-(1-ethylpiperidin-1-ium-1-yl)-1-phenylpropan-1-ol iodide.
Chemical Property Profile of 1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)-1-ethylpiperidin-1-ium iodide
Property Insights of 1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)-1-ethylpiperidin-1-ium iodide
The XLogP value of 1.8692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)-1-ethylpiperidin-1-ium iodide. With a topological polar surface area (TPSA) of 20.2 Ų, 1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)-1-ethylpiperidin-1-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)-1-ethylpiperidin-1-ium iodide 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 1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)-1-ethylpiperidin-1-ium iodide?
The CAS number of 1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)-1-ethylpiperidin-1-ium iodide is 32381-64-9.
What is the molecular formula of 1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)-1-ethylpiperidin-1-ium iodide?
The molecular formula of 1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)-1-ethylpiperidin-1-ium iodide is C22H36INO.
What is the molecular weight of 1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)-1-ethylpiperidin-1-ium iodide?
The molecular weight of 1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)-1-ethylpiperidin-1-ium iodide is 457.18 g/mol.
Where can I buy 1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)-1-ethylpiperidin-1-ium iodide?
You can request a quote for 1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)-1-ethylpiperidin-1-ium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)-1-ethylpiperidin-1-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)-1-ethylpiperidin-1-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.