Isocetyl Isostearate
TL;DR: Isocetyl Isostearate (CAS 52006-45-8) 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 16-methylheptadecanoate
Also Known As: isocetyl isostearate, Isohexadecyl isooctadecanoate, PELEMOL ICIS, ICIS, Isooctadecanoic acid, isohexadecyl ester
| Molecular Formula | C34H68O2 |
|---|---|
| Molecular Weight | 508.52 g/mol |
| LogP | 15.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 30 |
| Exact Mass | 508.52194 |
| Heavy Atoms | 36 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 52006-45-8 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C |
| InChIKey | DHGBAFGZLVRESL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isocetyl Isostearate (CAS 52006-45-8), with molecular formula C34H68O2 and molecular weight 508.52 g/mol. IUPAC: 14-methylpentadecyl 16-methylheptadecanoate.
Chemical Property Profile of Isocetyl Isostearate
Property Insights of Isocetyl Isostearate
The XLogP value of 15.7 indicates that Isocetyl Isostearate 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 Isostearate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isocetyl Isostearate 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 Isostearate?
The CAS number of Isocetyl Isostearate is 52006-45-8.
What is the molecular formula of Isocetyl Isostearate?
The molecular formula of Isocetyl Isostearate is C34H68O2.
What is the molecular weight of Isocetyl Isostearate?
The molecular weight of Isocetyl Isostearate is 508.52 g/mol.
Where can I buy Isocetyl Isostearate?
You can request a quote for Isocetyl Isostearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocetyl Isostearate?
Yes, KEHONG BIO provides custom synthesis services for Isocetyl Isostearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.