Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-methyl-, toluenesulfonate
TL;DR: Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-methyl-, toluenesulfonate (CAS 7350-01-8) is a chemical compound with molecular formula C29H38NO4S+ and molecular weight 496.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(2-benzylphenoxy)propan-2-yl]-1-methylpiperidin-1-ium;4-methylbenzenesulfonic acid
Also Known As: (1-((2-Benzylphenoxy)methyl)ethyl)-1-methylpiperidinium toluenesulfonate, Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-methyl-, toluenesulfonate, 1-[1-(2-benzylphenoxy)propan-2-yl]-1-methylpiperidin-1-ium; 4-methylbenzenesulfonic acid, RefChem:1096281
| Molecular Formula | C29H38NO4S+ |
|---|---|
| Molecular Weight | 496.25 g/mol |
| LogP | 5.91692 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.25217 |
| Heavy Atoms | 35 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 7350-01-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CC(COC1=CC=CC=C1CC2=CC=CC=C2)[N+]3(CCCCC3)C |
| InChIKey | OXOHQYAPQJZIOO-UHFFFAOYSA-N |
Product Overview
Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-methyl-, toluenesulfonate (CAS 7350-01-8), with molecular formula C29H38NO4S+ and molecular weight 496.25 g/mol. IUPAC: 1-[1-(2-benzylphenoxy)propan-2-yl]-1-methylpiperidin-1-ium;4-methylbenzenesulfonic acid.
Chemical Property Profile of Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-methyl-, toluenesulfonate
Property Insights of Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-methyl-, toluenesulfonate
The XLogP value of 5.91692 indicates that Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-methyl-, toluenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-methyl-, toluenesulfonate. Following Lipinski's Rule of Five, Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-methyl-, toluenesulfonate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-methyl-, toluenesulfonate?
The CAS number of Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-methyl-, toluenesulfonate is 7350-01-8.
What is the molecular formula of Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-methyl-, toluenesulfonate?
The molecular formula of Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-methyl-, toluenesulfonate is C29H38NO4S+.
What is the molecular weight of Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-methyl-, toluenesulfonate?
The molecular weight of Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-methyl-, toluenesulfonate is 496.25 g/mol.
Where can I buy Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-methyl-, toluenesulfonate?
You can request a quote for Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-methyl-, toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-methyl-, toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-methyl-, toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.