Isocetyl Stearate
TL;DR: Isocetyl Stearate (CAS 25339-09-7) is a chemical compound with molecular formula C34H68O2 and molecular weight 508.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-methylpentadecyl octadecanoate
Also Known As: Isocetyl stearate, Kessco ICS, Isohexadecyl stearate, Standamul 7061, Cetyl stearate
| Molecular Formula | C34H68O2 |
|---|---|
| Molecular Weight | 508.52 g/mol |
| LogP | 16.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 31 |
| Exact Mass | 508.52194 |
| Heavy Atoms | 36 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 25339-09-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C |
| InChIKey | LGEZTMRIZWCDLW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isocetyl Stearate (CAS 25339-09-7), with molecular formula C34H68O2 and molecular weight 508.52 g/mol. IUPAC: 14-methylpentadecyl octadecanoate.
Chemical Property Profile of Isocetyl Stearate
Property Insights of Isocetyl Stearate
The XLogP value of 16.0 indicates that Isocetyl 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, Isocetyl Stearate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isocetyl 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 Isocetyl Stearate?
The CAS number of Isocetyl Stearate is 25339-09-7.
What is the molecular formula of Isocetyl Stearate?
The molecular formula of Isocetyl Stearate is C34H68O2.
What is the molecular weight of Isocetyl Stearate?
The molecular weight of Isocetyl Stearate is 508.52 g/mol.
Where can I buy Isocetyl Stearate?
You can request a quote for Isocetyl Stearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocetyl Stearate?
Yes, KEHONG BIO provides custom synthesis services for Isocetyl Stearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.