Behenyl stearate
TL;DR: Behenyl stearate (CAS 22413-03-2) is a chemical compound with molecular formula C40H80O2 and molecular weight 592.62 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
docosyl octadecanoate
Also Known As: Behenyl stearate, docosyl octadecanoate, Docosyl stearate, docosanyl octadecanoate, Stearic acid behenyl ester
| Molecular Formula | C40H80O2 |
|---|---|
| Molecular Weight | 592.62 g/mol |
| LogP | 19.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 38 |
| Exact Mass | 592.61584 |
| Heavy Atoms | 42 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 22413-03-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC |
| InChIKey | SRKUMCYSWLWLLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Behenyl stearate (CAS 22413-03-2), with molecular formula C40H80O2 and molecular weight 592.62 g/mol. IUPAC: docosyl octadecanoate.
Chemical Property Profile of Behenyl stearate
Property Insights of Behenyl stearate
The XLogP value of 19.5 indicates that Behenyl stearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Behenyl stearate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Behenyl 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 Behenyl stearate?
The CAS number of Behenyl stearate is 22413-03-2.
What is the molecular formula of Behenyl stearate?
The molecular formula of Behenyl stearate is C40H80O2.
What is the molecular weight of Behenyl stearate?
The molecular weight of Behenyl stearate is 592.62 g/mol.
Where can I buy Behenyl stearate?
You can request a quote for Behenyl stearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Behenyl stearate?
Yes, KEHONG BIO provides custom synthesis services for Behenyl stearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.