Octyl docos-13-enoate
TL;DR: Octyl docos-13-enoate (CAS 19773-58-1) is a chemical compound with molecular formula C30H58O2 and molecular weight 450.4437 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octyl docos-13-enoate
Also Known As: 13-Docosenoic acid,octyl ester, (Z)- (8CI,9CI)
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C30H58O2 |
| Molecular Weight | 450.4437 g/mol |
| XLogP | 13.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 27 |
| Exact Mass | 450.4437 Da |
| Heavy Atoms | 32 |
| Complexity | 388.0 |
| SMILES | CCCCCCCCC=CCCCCCCCCCCCC(=O)OCCCCCCCC |
| InChIKey | MQIFQWJBRAGLBF-UHFFFAOYSA-N |
Chemical Property Profile of Octyl docos-13-enoate
Property Insights of Octyl docos-13-enoate
The XLogP value of 13.2 indicates that Octyl docos-13-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Octyl docos-13-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl docos-13-enoate 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 Octyl docos-13-enoate?
The CAS number of Octyl docos-13-enoate is 19773-58-1.
What is the molecular formula of Octyl docos-13-enoate?
The molecular formula of Octyl docos-13-enoate is C30H58O2.
What is the molecular weight of Octyl docos-13-enoate?
The molecular weight of Octyl docos-13-enoate is 450.4437 g/mol.
Where can I buy Octyl docos-13-enoate?
You can request a quote for Octyl docos-13-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octyl docos-13-enoate?
Yes, CoreyChem provides custom synthesis services for Octyl docos-13-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.