2-Hexadecylicosyl octanoate
TL;DR: 2-Hexadecylicosyl octanoate (CAS 97952-42-6) is a chemical compound with molecular formula C44H88O2 and molecular weight 648.6784 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hexadecylicosyl octanoate
Also Known As: 2-Hexadecylicosyl octanoate, Octanoic acid 2-hexadecylicosyl ester, 2-Hexadecylicosyl octanoate, , CID113474, 97952-42-6, EINECS 308-334-1, 2-Hexadecylicosyl octanoate, EINECS 308-334-1, CID113474, 97952-42-6
Technical Specifications
| Molecular Formula | C44H88O2 |
| Molecular Weight | 648.6784 g/mol |
| XLogP | 21.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 41 |
| Exact Mass | 648.6784 Da |
| Heavy Atoms | 46 |
| Complexity | 558.0 |
| SMILES | CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)COC(=O)CCCCCCC |
| InChIKey | JYCUBBLPYZNDAM-UHFFFAOYSA-N |
Chemical Property Profile of 2-Hexadecylicosyl octanoate
Property Insights of 2-Hexadecylicosyl octanoate
The XLogP value of 21.4 indicates that 2-Hexadecylicosyl octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Hexadecylicosyl octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hexadecylicosyl octanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-Hexadecylicosyl octanoate?
The CAS number of 2-Hexadecylicosyl octanoate is 97952-42-6.
What is the molecular formula of 2-Hexadecylicosyl octanoate?
The molecular formula of 2-Hexadecylicosyl octanoate is C44H88O2.
What is the molecular weight of 2-Hexadecylicosyl octanoate?
The molecular weight of 2-Hexadecylicosyl octanoate is 648.6784 g/mol.
Where can I buy 2-Hexadecylicosyl octanoate?
You can request a quote for 2-Hexadecylicosyl octanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Hexadecylicosyl octanoate?
Yes, CoreyChem provides custom synthesis services for 2-Hexadecylicosyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.