Octyl 12-hydroxyoctadecanoate
TL;DR: Octyl 12-hydroxyoctadecanoate (CAS 74819-90-2) is a chemical compound with molecular formula C26H52O3 and molecular weight 412.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 12-hydroxyoctadecanoate
Also Known As: Octyl 12-hydroxyoctadecanoate, OCTYL 12-HYDROXYSTEARATE, Octyl 12-hydroxyoctadecanoate #, 12-Hydroxy-octadecanoic acid, octyl ester, Octadecanoic acid,12-hydroxy-, octyl ester
| Molecular Formula | C26H52O3 |
|---|---|
| Molecular Weight | 412.39 g/mol |
| LogP | 10.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 24 |
| Exact Mass | 412.39163 |
| Heavy Atoms | 29 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 74819-90-2 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CCCCCCCCCCC(CCCCCC)O |
| InChIKey | ASUSBOZIBYQNDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octyl 12-hydroxyoctadecanoate (CAS 74819-90-2), with molecular formula C26H52O3 and molecular weight 412.39 g/mol. IUPAC: octyl 12-hydroxyoctadecanoate.
Chemical Property Profile of Octyl 12-hydroxyoctadecanoate
Property Insights of Octyl 12-hydroxyoctadecanoate
The XLogP value of 10.0 indicates that Octyl 12-hydroxyoctadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Octyl 12-hydroxyoctadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl 12-hydroxyoctadecanoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octyl 12-hydroxyoctadecanoate?
The CAS number of Octyl 12-hydroxyoctadecanoate is 74819-90-2.
What is the molecular formula of Octyl 12-hydroxyoctadecanoate?
The molecular formula of Octyl 12-hydroxyoctadecanoate is C26H52O3.
What is the molecular weight of Octyl 12-hydroxyoctadecanoate?
The molecular weight of Octyl 12-hydroxyoctadecanoate is 412.39 g/mol.
Where can I buy Octyl 12-hydroxyoctadecanoate?
You can request a quote for Octyl 12-hydroxyoctadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl 12-hydroxyoctadecanoate?
Yes, KEHONG BIO provides custom synthesis services for Octyl 12-hydroxyoctadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.