Octadecanoic acid, 12-((1-oxooctadecyl)oxy)-, octadecyl ester
TL;DR: Octadecanoic acid, 12-((1-oxooctadecyl)oxy)-, octadecyl ester (CAS 54684-78-5) is a chemical compound with molecular formula C54H106O4 and molecular weight 818.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octadecyl 12-octadecanoyloxyoctadecanoate
Also Known As: stearyl stearoyl stearate, HETESTER SSS, octadecyl 12-octadecanoyloxyoctadecanoate, (+-)-STEARYL STEAROYL STEARATE, octadecyl 12-(stearoyloxy)octadecanoate
| Molecular Formula | C54H106O4 |
|---|---|
| Molecular Weight | 818.81 g/mol |
| LogP | 18.8358 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 50 |
| Exact Mass | 818.8091 |
| Heavy Atoms | 58 |
| Complexity | 795.9068 |
Chemical Identifiers
| CAS Number | 54684-78-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC |
Product Overview
Octadecanoic acid, 12-((1-oxooctadecyl)oxy)-, octadecyl ester (CAS 54684-78-5), with molecular formula C54H106O4 and molecular weight 818.81 g/mol. IUPAC: octadecyl 12-octadecanoyloxyoctadecanoate.
Chemical Property Profile of Octadecanoic acid, 12-((1-oxooctadecyl)oxy)-, octadecyl ester
Property Insights of Octadecanoic acid, 12-((1-oxooctadecyl)oxy)-, octadecyl ester
The XLogP value of 18.8358 indicates that Octadecanoic acid, 12-((1-oxooctadecyl)oxy)-, octadecyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Octadecanoic acid, 12-((1-oxooctadecyl)oxy)-, octadecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecanoic acid, 12-((1-oxooctadecyl)oxy)-, octadecyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octadecanoic acid, 12-((1-oxooctadecyl)oxy)-, octadecyl ester?
The CAS number of Octadecanoic acid, 12-((1-oxooctadecyl)oxy)-, octadecyl ester is 54684-78-5.
What is the molecular formula of Octadecanoic acid, 12-((1-oxooctadecyl)oxy)-, octadecyl ester?
The molecular formula of Octadecanoic acid, 12-((1-oxooctadecyl)oxy)-, octadecyl ester is C54H106O4.
What is the molecular weight of Octadecanoic acid, 12-((1-oxooctadecyl)oxy)-, octadecyl ester?
The molecular weight of Octadecanoic acid, 12-((1-oxooctadecyl)oxy)-, octadecyl ester is 818.81 g/mol.
Where can I buy Octadecanoic acid, 12-((1-oxooctadecyl)oxy)-, octadecyl ester?
You can request a quote for Octadecanoic acid, 12-((1-oxooctadecyl)oxy)-, octadecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecanoic acid, 12-((1-oxooctadecyl)oxy)-, octadecyl ester?
Yes, KEHONG BIO provides custom synthesis services for Octadecanoic acid, 12-((1-oxooctadecyl)oxy)-, octadecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.