4-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-4-methylmorpholin-4-ium bromide
TL;DR: 4-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-4-methylmorpholin-4-ium bromide (CAS 2269-27-4) is a chemical compound with molecular formula C21H30BrNO2 and molecular weight 407.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyl-4-(4-methylmorpholin-4-ium-4-yl)-1-phenylbut-2-yn-1-ol bromide
Also Known As: 4-(4-Cyclohexyl-4-hydroxy-4-phenyl-2-butynyl)-4-methylmorpholinium bromide, Morpholinium, 4-(4-cyclohexyl-4-hydroxy-4-phenyl-2-butynyl)-4-methyl-, bromide, 4-(4-cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-4-methylmorpholin-4-ium bromide, 1-cyclohexyl-4-(4-methylmorpholin-4-ium-4-yl)-1-phenylbut-2-yn-1-ol bromide, RefChem:1069949
| Molecular Formula | C21H30BrNO2 |
|---|---|
| Molecular Weight | 407.15 g/mol |
| LogP | -0.0613 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.146 |
| Heavy Atoms | 25 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 2269-27-4 |
|---|---|
| SMILES | C[N+]1(CCOCC1)CC#CC(C2CCCCC2)(C3=CC=CC=C3)O.[Br-] |
| InChIKey | TVMFEISKVSLIJG-UHFFFAOYSA-M |
Product Overview
4-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-4-methylmorpholin-4-ium bromide (CAS 2269-27-4), with molecular formula C21H30BrNO2 and molecular weight 407.15 g/mol. IUPAC: 1-cyclohexyl-4-(4-methylmorpholin-4-ium-4-yl)-1-phenylbut-2-yn-1-ol bromide.
Chemical Property Profile of 4-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-4-methylmorpholin-4-ium bromide
Property Insights of 4-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-4-methylmorpholin-4-ium bromide
The XLogP value of -0.0613 indicates that 4-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-4-methylmorpholin-4-ium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 29.5 Ų, 4-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-4-methylmorpholin-4-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-4-methylmorpholin-4-ium bromide has 1 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 4-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-4-methylmorpholin-4-ium bromide?
The CAS number of 4-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-4-methylmorpholin-4-ium bromide is 2269-27-4.
What is the molecular formula of 4-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-4-methylmorpholin-4-ium bromide?
The molecular formula of 4-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-4-methylmorpholin-4-ium bromide is C21H30BrNO2.
What is the molecular weight of 4-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-4-methylmorpholin-4-ium bromide?
The molecular weight of 4-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-4-methylmorpholin-4-ium bromide is 407.15 g/mol.
Where can I buy 4-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-4-methylmorpholin-4-ium bromide?
You can request a quote for 4-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-4-methylmorpholin-4-ium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-4-methylmorpholin-4-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)-4-methylmorpholin-4-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.