Isotridecyl Stearate
TL;DR: Isotridecyl Stearate (CAS 364043-79-8) is a chemical compound with molecular formula C31H62O2 and molecular weight 466.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methyldodecyl octadecanoate
Also Known As: Isotridecyl stearate, isotridecylstearate, 11-methyldodecyl octadecanoate, 11-methyldodecyl stearate, EXCEPARL TD-S
| Molecular Formula | C31H62O2 |
|---|---|
| Molecular Weight | 466.47 g/mol |
| LogP | 14.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 28 |
| Exact Mass | 466.47498 |
| Heavy Atoms | 33 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 364043-79-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCC(C)C |
| InChIKey | SRBSSROHORQGBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isotridecyl Stearate (CAS 364043-79-8), with molecular formula C31H62O2 and molecular weight 466.47 g/mol. IUPAC: 11-methyldodecyl octadecanoate.
Chemical Property Profile of Isotridecyl Stearate
Property Insights of Isotridecyl Stearate
The XLogP value of 14.4 indicates that Isotridecyl 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, Isotridecyl Stearate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isotridecyl 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 Isotridecyl Stearate?
The CAS number of Isotridecyl Stearate is 364043-79-8.
What is the molecular formula of Isotridecyl Stearate?
The molecular formula of Isotridecyl Stearate is C31H62O2.
What is the molecular weight of Isotridecyl Stearate?
The molecular weight of Isotridecyl Stearate is 466.47 g/mol.
Where can I buy Isotridecyl Stearate?
You can request a quote for Isotridecyl Stearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isotridecyl Stearate?
Yes, KEHONG BIO provides custom synthesis services for Isotridecyl Stearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.