Stearoyl isethionate
TL;DR: Stearoyl isethionate (CAS 56022-46-9) is a chemical compound with molecular formula C20H40O5S and molecular weight 392.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-octadecanoyloxyethanesulfonic acid
Also Known As: stearoyl isethionate, 2-Sulfoethyl octadecanoate, 2-sulfoethyl stearate, stearoyl isethionic acid, Octadecanoic acid 2-sulfoethyl ester
| Molecular Formula | C20H40O5S |
|---|---|
| Molecular Weight | 392.26 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 20 |
| Exact Mass | 392.25964 |
| Heavy Atoms | 26 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 56022-46-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCS(=O)(=O)O |
| InChIKey | WSRXLNLZLUNDKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Stearoyl isethionate (CAS 56022-46-9), with molecular formula C20H40O5S and molecular weight 392.26 g/mol. IUPAC: 2-octadecanoyloxyethanesulfonic acid.
Chemical Property Profile of Stearoyl isethionate
Property Insights of Stearoyl isethionate
The XLogP value of 7.4 indicates that Stearoyl isethionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Stearoyl isethionate. Following Lipinski's Rule of Five, Stearoyl isethionate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Stearoyl isethionate?
The CAS number of Stearoyl isethionate is 56022-46-9.
What is the molecular formula of Stearoyl isethionate?
The molecular formula of Stearoyl isethionate is C20H40O5S.
What is the molecular weight of Stearoyl isethionate?
The molecular weight of Stearoyl isethionate is 392.26 g/mol.
Where can I buy Stearoyl isethionate?
You can request a quote for Stearoyl isethionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Stearoyl isethionate?
Yes, KEHONG BIO provides custom synthesis services for Stearoyl isethionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.