4-(4-Chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonic acid
TL;DR: 4-(4-Chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonic acid (CAS 92953-10-1) is a chemical compound with molecular formula C28H45ClNO3S+ and molecular weight 510.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonic acid
Also Known As: clofilium; para-toluene sulfonate, 4-(4-chlorophenyl)butyl-diethyl-heptylazanium; 4-methylbenzenesulfonic acid
| Molecular Formula | C28H45ClNO3S+ |
|---|---|
| Molecular Weight | 510.28 g/mol |
| LogP | 7.73142 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 510.28085 |
| Heavy Atoms | 34 |
| Complexity | 892.2534 |
Chemical Identifiers
| CAS Number | 92953-10-1 |
|---|---|
| SMILES | CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)Cl.CC1=CC=C(C=C1)S(=O)(=O)O |
Product Overview
4-(4-Chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonic acid (CAS 92953-10-1), with molecular formula C28H45ClNO3S+ and molecular weight 510.28 g/mol. IUPAC: 4-(4-chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonic acid.
Chemical Property Profile of 4-(4-Chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonic acid
Property Insights of 4-(4-Chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonic acid
The XLogP value of 7.73142 indicates that 4-(4-Chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 4-(4-Chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-Chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonic acid?
The CAS number of 4-(4-Chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonic acid is 92953-10-1.
What is the molecular formula of 4-(4-Chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonic acid?
The molecular formula of 4-(4-Chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonic acid is C28H45ClNO3S+.
What is the molecular weight of 4-(4-Chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonic acid?
The molecular weight of 4-(4-Chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonic acid is 510.28 g/mol.
Where can I buy 4-(4-Chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonic acid?
You can request a quote for 4-(4-Chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.