2-乙基己酸十八烷基酯
TL;DR: 2-乙基己酸十八烷基酯 (CAS 59130-70-0) is a chemical compound with molecular formula C26H52O2 and molecular weight 396.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙基己酸十八烷基酯
octadecyl 2-ethylhexanoate
Also Known As: Octadecyl 2-ethylhexanoate, Stearyl octanoate, Stearyl 2-ethylhexanoate, STEARYL ETHYLHEXANOATE, octadecyl2-ethylhexanoate
| Molecular Formula | C26H52O2 |
|---|---|
| Molecular Weight | 396.40 g/mol |
| LogP | 11.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 23 |
| Exact Mass | 396.39673 |
| Heavy Atoms | 28 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 59130-70-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC |
| InChIKey | PIUVNPNBPWVVKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-乙基己酸十八烷基酯 (CAS 59130-70-0), with molecular formula C26H52O2 and molecular weight 396.40 g/mol. IUPAC: octadecyl 2-ethylhexanoate.
Chemical Property Profile of 2-乙基己酸十八烷基酯
Property Insights of 2-乙基己酸十八烷基酯
The XLogP value of 11.8 indicates that 2-乙基己酸十八烷基酯 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-乙基己酸十八烷基酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-乙基己酸十八烷基酯 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-乙基己酸十八烷基酯?
The CAS number of 2-乙基己酸十八烷基酯 is 59130-70-0.
What is the molecular formula of 2-乙基己酸十八烷基酯?
The molecular formula of 2-乙基己酸十八烷基酯 is C26H52O2.
What is the molecular weight of 2-乙基己酸十八烷基酯?
The molecular weight of 2-乙基己酸十八烷基酯 is 396.40 g/mol.
Where can I buy 2-乙基己酸十八烷基酯?
You can request a quote for 2-乙基己酸十八烷基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙基己酸十八烷基酯?
Yes, KEHONG BIO provides custom synthesis services for 2-乙基己酸十八烷基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.