Cetrimonium stearate
TL;DR: Cetrimonium stearate (CAS 124-23-2) is a chemical compound with molecular formula C37H77NO2 and molecular weight 567.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecyl(trimethyl)azanium;octadecanoate
Also Known As: CETRIMONIUM STEARATE, Hexadecyltrimethylammonium stearate, CETA STEARATE, cetyltrimethylammonium stearate, CETRIMONIUM STEARATE [MI]
| Molecular Formula | C37H77NO2 |
|---|---|
| Molecular Weight | 567.60 g/mol |
| LogP | 11.17 |
| Topological Polar Surface Area | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 30 |
| Exact Mass | 567.59546 |
| Heavy Atoms | 40 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 124-23-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC[N+](C)(C)C |
| InChIKey | DXQWPBNWAKTXPF-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cetrimonium stearate (CAS 124-23-2), with molecular formula C37H77NO2 and molecular weight 567.60 g/mol. IUPAC: hexadecyl(trimethyl)azanium;octadecanoate.
Chemical Property Profile of Cetrimonium stearate
Property Insights of Cetrimonium stearate
The XLogP value of 11.17 indicates that Cetrimonium 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, Cetrimonium stearate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cetrimonium 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 Cetrimonium stearate?
The CAS number of Cetrimonium stearate is 124-23-2.
What is the molecular formula of Cetrimonium stearate?
The molecular formula of Cetrimonium stearate is C37H77NO2.
What is the molecular weight of Cetrimonium stearate?
The molecular weight of Cetrimonium stearate is 567.60 g/mol.
Where can I buy Cetrimonium stearate?
You can request a quote for Cetrimonium stearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cetrimonium stearate?
Yes, KEHONG BIO provides custom synthesis services for Cetrimonium stearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.