Piperidinium, 1-(4-hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)-1-methyl-, bromide
TL;DR: Piperidinium, 1-(4-hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)-1-methyl-, bromide (CAS 2110-54-5) is a chemical compound with molecular formula C21H25BrN2O and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-1-pyridin-2-ylbut-2-yn-1-ol bromide
Also Known As: 1-(4-Hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)-1-methylpiperidinium bromide, Piperidinium, 1-(4-hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)-1-methyl-, bromide, 1-(4-HYDROXY-4-PHENYL-4-(PYRIDIN-2-YL)-2-BUTYNYL)-1-METHYLPIPERIDINIUM BROMIDE, 1-[4-Hydroxy-4-phenyl-4-(pyridin-2-yl)but-2-yn-1-yl]-1-methylpiperidin-1-ium bromide, 4-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-1-pyridin-2-ylbut-2-yn-1-ol bromide
| Molecular Formula | C21H25BrN2O |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | -0.0446 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.11502 |
| Heavy Atoms | 25 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 2110-54-5 |
|---|---|
| SMILES | C[N+]1(CCCCC1)CC#CC(C2=CC=CC=C2)(C3=CC=CC=N3)O.[Br-] |
| InChIKey | MDMZSLREGOUIFR-UHFFFAOYSA-M |
Product Overview
Piperidinium, 1-(4-hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)-1-methyl-, bromide (CAS 2110-54-5), with molecular formula C21H25BrN2O and molecular weight 400.12 g/mol. IUPAC: 4-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-1-pyridin-2-ylbut-2-yn-1-ol bromide.
Chemical Property Profile of Piperidinium, 1-(4-hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)-1-methyl-, bromide
Property Insights of Piperidinium, 1-(4-hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)-1-methyl-, bromide
The XLogP value of -0.0446 indicates that Piperidinium, 1-(4-hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)-1-methyl-, bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.1 Ų, Piperidinium, 1-(4-hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)-1-methyl-, bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperidinium, 1-(4-hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)-1-methyl-, 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 Piperidinium, 1-(4-hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)-1-methyl-, bromide?
The CAS number of Piperidinium, 1-(4-hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)-1-methyl-, bromide is 2110-54-5.
What is the molecular formula of Piperidinium, 1-(4-hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)-1-methyl-, bromide?
The molecular formula of Piperidinium, 1-(4-hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)-1-methyl-, bromide is C21H25BrN2O.
What is the molecular weight of Piperidinium, 1-(4-hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)-1-methyl-, bromide?
The molecular weight of Piperidinium, 1-(4-hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)-1-methyl-, bromide is 400.12 g/mol.
Where can I buy Piperidinium, 1-(4-hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)-1-methyl-, bromide?
You can request a quote for Piperidinium, 1-(4-hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)-1-methyl-, bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperidinium, 1-(4-hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)-1-methyl-, bromide?
Yes, KEHONG BIO provides custom synthesis services for Piperidinium, 1-(4-hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)-1-methyl-, bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.