Pentadecyl octadecanoate
TL;DR: Pentadecyl octadecanoate (CAS 68201-20-7) is a chemical compound with molecular formula C33H66O2 and molecular weight 494.5063 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pentadecyl octadecanoate
Also Known As: pentadecyl octadecanoate, C12-18-Alkyl stearates, (C12-C18) Alkyl stearate, Octadecanoic acid, C12-18-alkyl esters
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C33H66O2 |
| Molecular Weight | 494.5063 g/mol |
| XLogP | 15.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 31 |
| Exact Mass | 494.5063 Da |
| Heavy Atoms | 35 |
| Complexity | 393.0 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCC |
| InChIKey | YYYQIRQULKVEKH-UHFFFAOYSA-N |
Chemical Property Profile of Pentadecyl octadecanoate
Property Insights of Pentadecyl octadecanoate
The XLogP value of 15.7 indicates that Pentadecyl octadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pentadecyl octadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentadecyl octadecanoate 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 Pentadecyl octadecanoate?
The CAS number of Pentadecyl octadecanoate is 68201-20-7.
What is the molecular formula of Pentadecyl octadecanoate?
The molecular formula of Pentadecyl octadecanoate is C33H66O2.
What is the molecular weight of Pentadecyl octadecanoate?
The molecular weight of Pentadecyl octadecanoate is 494.5063 g/mol.
Where can I buy Pentadecyl octadecanoate?
You can request a quote for Pentadecyl octadecanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentadecyl octadecanoate?
Yes, CoreyChem provides custom synthesis services for Pentadecyl octadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.