Octane-1,4,7-triyl trioctanoate
TL;DR: Octane-1,4,7-triyl trioctanoate (CAS 66608-10-4) is a chemical compound with molecular formula C32H60O6 and molecular weight 540.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-di(octanoyloxy)octyl octanoate
Also Known As: octane-1,4,7-triyl trioctanoate, 4,7-di(octanoyloxy)octyl octanoate
| Molecular Formula | C32H60O6 |
|---|---|
| Molecular Weight | 540.44 g/mol |
| LogP | 10.8 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 30 |
| Exact Mass | 540.43896 |
| Heavy Atoms | 38 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 66608-10-4 |
|---|---|
| SMILES | CCCCCCCC(=O)OCCCC(CCC(C)OC(=O)CCCCCCC)OC(=O)CCCCCCC |
| InChIKey | LKDNYUUWPLUNGP-UHFFFAOYSA-N |
Product Overview
Octane-1,4,7-triyl trioctanoate (CAS 66608-10-4), with molecular formula C32H60O6 and molecular weight 540.44 g/mol. IUPAC: 4,7-di(octanoyloxy)octyl octanoate.
Chemical Property Profile of Octane-1,4,7-triyl trioctanoate
Property Insights of Octane-1,4,7-triyl trioctanoate
The XLogP value of 10.8 indicates that Octane-1,4,7-triyl trioctanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Octane-1,4,7-triyl trioctanoate. Following Lipinski's Rule of Five, Octane-1,4,7-triyl trioctanoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octane-1,4,7-triyl trioctanoate?
The CAS number of Octane-1,4,7-triyl trioctanoate is 66608-10-4.
What is the molecular formula of Octane-1,4,7-triyl trioctanoate?
The molecular formula of Octane-1,4,7-triyl trioctanoate is C32H60O6.
What is the molecular weight of Octane-1,4,7-triyl trioctanoate?
The molecular weight of Octane-1,4,7-triyl trioctanoate is 540.44 g/mol.
Where can I buy Octane-1,4,7-triyl trioctanoate?
You can request a quote for Octane-1,4,7-triyl trioctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octane-1,4,7-triyl trioctanoate?
Yes, KEHONG BIO provides custom synthesis services for Octane-1,4,7-triyl trioctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.