Isooctadecyl stearate
TL;DR: Isooctadecyl stearate (CAS 60350-70-1) is a chemical compound with molecular formula C36H72O2 and molecular weight 536.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-methylheptadecyl octadecanoate
Also Known As: isostearyl stearate, Isooctadecyl stearate, isooctadecylstearate, 16-methylheptadecyl octadecanoate, Octadecanoic acid,isooctadecyl ester
| Molecular Formula | C36H72O2 |
|---|---|
| Molecular Weight | 536.55 g/mol |
| LogP | 17.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 33 |
| Exact Mass | 536.5532 |
| Heavy Atoms | 38 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 60350-70-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C |
| InChIKey | PYJQLUORHGLSGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isooctadecyl stearate (CAS 60350-70-1), with molecular formula C36H72O2 and molecular weight 536.55 g/mol. IUPAC: 16-methylheptadecyl octadecanoate.
Chemical Property Profile of Isooctadecyl stearate
Property Insights of Isooctadecyl stearate
The XLogP value of 17.1 indicates that Isooctadecyl 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, Isooctadecyl stearate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isooctadecyl 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 Isooctadecyl stearate?
The CAS number of Isooctadecyl stearate is 60350-70-1.
What is the molecular formula of Isooctadecyl stearate?
The molecular formula of Isooctadecyl stearate is C36H72O2.
What is the molecular weight of Isooctadecyl stearate?
The molecular weight of Isooctadecyl stearate is 536.55 g/mol.
Where can I buy Isooctadecyl stearate?
You can request a quote for Isooctadecyl stearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isooctadecyl stearate?
Yes, KEHONG BIO provides custom synthesis services for Isooctadecyl stearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.