1-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-1-methylpiperidin-1-ium bromide
TL;DR: 1-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-1-methylpiperidin-1-ium bromide (CAS 2110-42-1) is a chemical compound with molecular formula C22H32BrNO and molecular weight 405.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyl-4-(1-methylpiperidin-1-ium-1-yl)-1-phenylbut-2-yn-1-ol bromide
Also Known As: 1-(4-Cyclohexyl-4-hydroxy-4-phenyl-2-butynyl)-1-methylpiperidinium bromide, 1-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-1-methylpiperidin-1-ium bromide, Piperidinium, 1-(4-cyclohexyl-4-hydroxy-4-phenyl-2-butynyl)-1-methyl-, bromide, 1-cyclohexyl-4-(1-methylpiperidin-1-ium-1-yl)-1-phenylbut-2-yn-1-ol bromide, RefChem:1054346
| Molecular Formula | C22H32BrNO |
|---|---|
| Molecular Weight | 405.17 g/mol |
| LogP | 1.0924 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.16672 |
| Heavy Atoms | 25 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 2110-42-1 |
|---|---|
| SMILES | C[N+]1(CCCCC1)CC#CC(C2CCCCC2)(C3=CC=CC=C3)O.[Br-] |
| InChIKey | KSBQPXXTFRCVKA-UHFFFAOYSA-M |
Product Overview
1-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-1-methylpiperidin-1-ium bromide (CAS 2110-42-1), with molecular formula C22H32BrNO and molecular weight 405.17 g/mol. IUPAC: 1-cyclohexyl-4-(1-methylpiperidin-1-ium-1-yl)-1-phenylbut-2-yn-1-ol bromide.
Chemical Property Profile of 1-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-1-methylpiperidin-1-ium bromide
Property Insights of 1-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-1-methylpiperidin-1-ium bromide
The XLogP value of 1.0924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-1-methylpiperidin-1-ium bromide. With a topological polar surface area (TPSA) of 20.2 Ų, 1-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-1-methylpiperidin-1-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-1-methylpiperidin-1-ium bromide 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-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-1-methylpiperidin-1-ium bromide?
The CAS number of 1-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-1-methylpiperidin-1-ium bromide is 2110-42-1.
What is the molecular formula of 1-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-1-methylpiperidin-1-ium bromide?
The molecular formula of 1-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-1-methylpiperidin-1-ium bromide is C22H32BrNO.
What is the molecular weight of 1-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-1-methylpiperidin-1-ium bromide?
The molecular weight of 1-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-1-methylpiperidin-1-ium bromide is 405.17 g/mol.
Where can I buy 1-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-1-methylpiperidin-1-ium bromide?
You can request a quote for 1-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-1-methylpiperidin-1-ium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-1-methylpiperidin-1-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-1-methylpiperidin-1-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.