Benzeneethanaminium, N,N-dimethyl-N-octadecyl-, 4-methylbenzenesulfonate (1:1)
TL;DR: Benzeneethanaminium, N,N-dimethyl-N-octadecyl-, 4-methylbenzenesulfonate (1:1) (CAS 83890-91-9) is a chemical compound with molecular formula C35H59NO3S and molecular weight 573.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-octadecyl-(2-phenylethyl)azanium;4-methylbenzenesulfonate
Also Known As: SPDAT compound, Stearylphenylethyldimethylammonium tosylate, 1-naphthalen-2-yl-1-phenylhydrazine, Stearyl(phenylethyl)dimethylammonium tosylate, dimethyl phenethylammoniumtoluene-p-sulphonate
| Molecular Formula | C35H59NO3S |
|---|---|
| Molecular Weight | 573.42 g/mol |
| LogP | 9.46612 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 20 |
| Exact Mass | 573.4216 |
| Heavy Atoms | 40 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 83890-91-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | RNZDMOKIKRLRSX-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneethanaminium, N,N-dimethyl-N-octadecyl-, 4-methylbenzenesulfonate (1:1) (CAS 83890-91-9), with molecular formula C35H59NO3S and molecular weight 573.42 g/mol. IUPAC: dimethyl-octadecyl-(2-phenylethyl)azanium;4-methylbenzenesulfonate.
Chemical Property Profile of Benzeneethanaminium, N,N-dimethyl-N-octadecyl-, 4-methylbenzenesulfonate (1:1)
Property Insights of Benzeneethanaminium, N,N-dimethyl-N-octadecyl-, 4-methylbenzenesulfonate (1:1)
The XLogP value of 9.46612 indicates that Benzeneethanaminium, N,N-dimethyl-N-octadecyl-, 4-methylbenzenesulfonate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneethanaminium, N,N-dimethyl-N-octadecyl-, 4-methylbenzenesulfonate (1:1). Following Lipinski's Rule of Five, Benzeneethanaminium, N,N-dimethyl-N-octadecyl-, 4-methylbenzenesulfonate (1:1) has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzeneethanaminium, N,N-dimethyl-N-octadecyl-, 4-methylbenzenesulfonate (1:1)?
The CAS number of Benzeneethanaminium, N,N-dimethyl-N-octadecyl-, 4-methylbenzenesulfonate (1:1) is 83890-91-9.
What is the molecular formula of Benzeneethanaminium, N,N-dimethyl-N-octadecyl-, 4-methylbenzenesulfonate (1:1)?
The molecular formula of Benzeneethanaminium, N,N-dimethyl-N-octadecyl-, 4-methylbenzenesulfonate (1:1) is C35H59NO3S.
What is the molecular weight of Benzeneethanaminium, N,N-dimethyl-N-octadecyl-, 4-methylbenzenesulfonate (1:1)?
The molecular weight of Benzeneethanaminium, N,N-dimethyl-N-octadecyl-, 4-methylbenzenesulfonate (1:1) is 573.42 g/mol.
Where can I buy Benzeneethanaminium, N,N-dimethyl-N-octadecyl-, 4-methylbenzenesulfonate (1:1)?
You can request a quote for Benzeneethanaminium, N,N-dimethyl-N-octadecyl-, 4-methylbenzenesulfonate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneethanaminium, N,N-dimethyl-N-octadecyl-, 4-methylbenzenesulfonate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzeneethanaminium, N,N-dimethyl-N-octadecyl-, 4-methylbenzenesulfonate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.