2-Mercaptoethyl stearate
TL;DR: 2-Mercaptoethyl stearate (CAS 27564-01-8) is a chemical compound with molecular formula C20H40O2S and molecular weight 344.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylethyl octadecanoate
Also Known As: 2-Mercaptoethyl stearate, 2-sulfanylethyl stearate, 2-Mercaptoethyl octadecanoate, 2-mercaptoethylstearate, 2-sulfanylethyl octadecanoate
| Molecular Formula | C20H40O2S |
|---|---|
| Molecular Weight | 344.27 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 19 |
| Exact Mass | 344.2749 |
| Heavy Atoms | 23 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 27564-01-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCS |
| InChIKey | FPRWILGFWFTOHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Mercaptoethyl stearate (CAS 27564-01-8), with molecular formula C20H40O2S and molecular weight 344.27 g/mol. IUPAC: 2-sulfanylethyl octadecanoate.
Chemical Property Profile of 2-Mercaptoethyl stearate
Property Insights of 2-Mercaptoethyl stearate
The XLogP value of 8.8 indicates that 2-Mercaptoethyl stearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.3 Ų, 2-Mercaptoethyl stearate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Mercaptoethyl stearate has 1 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 2-Mercaptoethyl stearate?
The CAS number of 2-Mercaptoethyl stearate is 27564-01-8.
What is the molecular formula of 2-Mercaptoethyl stearate?
The molecular formula of 2-Mercaptoethyl stearate is C20H40O2S.
What is the molecular weight of 2-Mercaptoethyl stearate?
The molecular weight of 2-Mercaptoethyl stearate is 344.27 g/mol.
Where can I buy 2-Mercaptoethyl stearate?
You can request a quote for 2-Mercaptoethyl stearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercaptoethyl stearate?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercaptoethyl stearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.