Piperidinium, 1-ethyl-4-hydroxy-1-methyl-, bromide, 3-methyl-2-phenylvalerate
TL;DR: Piperidinium, 1-ethyl-4-hydroxy-1-methyl-, bromide, 3-methyl-2-phenylvalerate (CAS 52171-54-7) is a chemical compound with molecular formula C20H32BrNO2 and molecular weight 397.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-ethyl-1-methylpiperidin-1-ium-4-yl) 3-methyl-2-phenylpentanoate bromide
Also Known As: C 4291, Piperidinium, 1-ethyl-4-hydroxy-1-methyl-, bromide, 3-methyl-2-phenylvalerate, Piperidinium, 4-((3-methyl-2-phenylvaleryl)oxy)-1-ethyl-1-methyl-, bromide, (1-ethyl-1-methylpiperidin-1-ium-4-yl) 3-methyl-2-phenylpentanoate bromide, 1-Ethyl-1-methyl-4-[(3-methyl-2-phenylpentanoyl)oxy]piperidin-1-ium bromide
| Molecular Formula | C20H32BrNO2 |
|---|---|
| Molecular Weight | 397.16 g/mol |
| LogP | 0.9924 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.16165 |
| Heavy Atoms | 24 |
| Complexity | 497.62012 |
Chemical Identifiers
| CAS Number | 52171-54-7 |
|---|---|
| SMILES | CCC(C)C(C1=CC=CC=C1)C(=O)OC2CC[N+](CC2)(C)CC.[Br-] |
Product Overview
Piperidinium, 1-ethyl-4-hydroxy-1-methyl-, bromide, 3-methyl-2-phenylvalerate (CAS 52171-54-7), with molecular formula C20H32BrNO2 and molecular weight 397.16 g/mol. IUPAC: (1-ethyl-1-methylpiperidin-1-ium-4-yl) 3-methyl-2-phenylpentanoate bromide.
Chemical Property Profile of Piperidinium, 1-ethyl-4-hydroxy-1-methyl-, bromide, 3-methyl-2-phenylvalerate
Property Insights of Piperidinium, 1-ethyl-4-hydroxy-1-methyl-, bromide, 3-methyl-2-phenylvalerate
The XLogP value of 0.9924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperidinium, 1-ethyl-4-hydroxy-1-methyl-, bromide, 3-methyl-2-phenylvalerate. With a topological polar surface area (TPSA) of 26.3 Ų, Piperidinium, 1-ethyl-4-hydroxy-1-methyl-, bromide, 3-methyl-2-phenylvalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperidinium, 1-ethyl-4-hydroxy-1-methyl-, bromide, 3-methyl-2-phenylvalerate has 0 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 Piperidinium, 1-ethyl-4-hydroxy-1-methyl-, bromide, 3-methyl-2-phenylvalerate?
The CAS number of Piperidinium, 1-ethyl-4-hydroxy-1-methyl-, bromide, 3-methyl-2-phenylvalerate is 52171-54-7.
What is the molecular formula of Piperidinium, 1-ethyl-4-hydroxy-1-methyl-, bromide, 3-methyl-2-phenylvalerate?
The molecular formula of Piperidinium, 1-ethyl-4-hydroxy-1-methyl-, bromide, 3-methyl-2-phenylvalerate is C20H32BrNO2.
What is the molecular weight of Piperidinium, 1-ethyl-4-hydroxy-1-methyl-, bromide, 3-methyl-2-phenylvalerate?
The molecular weight of Piperidinium, 1-ethyl-4-hydroxy-1-methyl-, bromide, 3-methyl-2-phenylvalerate is 397.16 g/mol.
Where can I buy Piperidinium, 1-ethyl-4-hydroxy-1-methyl-, bromide, 3-methyl-2-phenylvalerate?
You can request a quote for Piperidinium, 1-ethyl-4-hydroxy-1-methyl-, bromide, 3-methyl-2-phenylvalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperidinium, 1-ethyl-4-hydroxy-1-methyl-, bromide, 3-methyl-2-phenylvalerate?
Yes, KEHONG BIO provides custom synthesis services for Piperidinium, 1-ethyl-4-hydroxy-1-methyl-, bromide, 3-methyl-2-phenylvalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.