Octadecyltrimethylammonium stearate
TL;DR: Octadecyltrimethylammonium stearate (CAS 7542-20-3) is a chemical compound with molecular formula C39H81NO2 and molecular weight 595.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octadecanoate;trimethyl(octadecyl)azanium
Also Known As: OCTADECYLTRIMETHYLAMMONIUM STEARATE, Ammonium, trimethyloctadecyl-, stearate, octadecanoate,trimethyl(octadecyl)azanium, octadecanoate; trimethyl(octadecyl)azanium, octadecanoate; trimethyl-octadecyl-azanium
| Molecular Formula | C39H81NO2 |
|---|---|
| Molecular Weight | 595.63 g/mol |
| LogP | 11.95 |
| Topological Polar Surface Area | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 32 |
| Exact Mass | 595.6267 |
| Heavy Atoms | 42 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 7542-20-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCCCCCCCC(=O)[O-] |
| InChIKey | DTSCWNFJDVLSFY-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octadecyltrimethylammonium stearate (CAS 7542-20-3), with molecular formula C39H81NO2 and molecular weight 595.63 g/mol. IUPAC: octadecanoate;trimethyl(octadecyl)azanium.
Chemical Property Profile of Octadecyltrimethylammonium stearate
Property Insights of Octadecyltrimethylammonium stearate
The XLogP value of 11.95 indicates that Octadecyltrimethylammonium stearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.1 Ų, Octadecyltrimethylammonium stearate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecyltrimethylammonium stearate has 0 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 Octadecyltrimethylammonium stearate?
The CAS number of Octadecyltrimethylammonium stearate is 7542-20-3.
What is the molecular formula of Octadecyltrimethylammonium stearate?
The molecular formula of Octadecyltrimethylammonium stearate is C39H81NO2.
What is the molecular weight of Octadecyltrimethylammonium stearate?
The molecular weight of Octadecyltrimethylammonium stearate is 595.63 g/mol.
Where can I buy Octadecyltrimethylammonium stearate?
You can request a quote for Octadecyltrimethylammonium stearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecyltrimethylammonium stearate?
Yes, KEHONG BIO provides custom synthesis services for Octadecyltrimethylammonium stearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.