Palmitoyl isethionate
TL;DR: Palmitoyl isethionate (CAS 56022-47-0) is a chemical compound with molecular formula C18H36O5S and molecular weight 364.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexadecanoyloxyethanesulfonic acid
Also Known As: Palmitoyl isethionate, 2-Sulfoethyl hexadecanoate, Hexadecanoic acid, 2-sulfoethyl ester, PALMITOYL ISETHIONIC ACID, 2-hexadecanoyloxyethanesulfonic Acid
| Molecular Formula | C18H36O5S |
|---|---|
| Molecular Weight | 364.23 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 364.22833 |
| Heavy Atoms | 24 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 56022-47-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OCCS(=O)(=O)O |
| InChIKey | QKXPXFJKDHSDKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Palmitoyl isethionate (CAS 56022-47-0), with molecular formula C18H36O5S and molecular weight 364.23 g/mol. IUPAC: 2-hexadecanoyloxyethanesulfonic acid.
Chemical Property Profile of Palmitoyl isethionate
Property Insights of Palmitoyl isethionate
The XLogP value of 6.3 indicates that Palmitoyl 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 Palmitoyl isethionate. Following Lipinski's Rule of Five, Palmitoyl 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 Palmitoyl isethionate?
The CAS number of Palmitoyl isethionate is 56022-47-0.
What is the molecular formula of Palmitoyl isethionate?
The molecular formula of Palmitoyl isethionate is C18H36O5S.
What is the molecular weight of Palmitoyl isethionate?
The molecular weight of Palmitoyl isethionate is 364.23 g/mol.
Where can I buy Palmitoyl isethionate?
You can request a quote for Palmitoyl isethionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Palmitoyl isethionate?
Yes, KEHONG BIO provides custom synthesis services for Palmitoyl isethionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.