2-乙基己酸己酯
TL;DR: 2-乙基己酸己酯 (CAS 20748-87-2) is a chemical compound with molecular formula C14H28O2 and molecular weight 228.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙基己酸己酯
hexyl 2-ethylhexanoate
Also Known As: Hexyl 2-ethylhexanoate, Hexanoic acid, 2-ethyl-, hexyl ester, Hexanoic acid, hexyl ester, 2-Ethylhexanoic acid,n-hexyl ester, 2-Ethylhexanoic acid hexyl ester
| Molecular Formula | C14H28O2 |
|---|---|
| Molecular Weight | 228.21 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 228.20892 |
| Heavy Atoms | 16 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 20748-87-2 |
|---|---|
| SMILES | CCCCCCOC(=O)C(CC)CCCC |
| InChIKey | HGJAQCVKJLUCKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-乙基己酸己酯 (CAS 20748-87-2), with molecular formula C14H28O2 and molecular weight 228.21 g/mol. IUPAC: hexyl 2-ethylhexanoate.
Chemical Property Profile of 2-乙基己酸己酯
Property Insights of 2-乙基己酸己酯
The XLogP value of 5.3 indicates that 2-乙基己酸己酯 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-乙基己酸己酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-乙基己酸己酯 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-乙基己酸己酯?
The CAS number of 2-乙基己酸己酯 is 20748-87-2.
What is the molecular formula of 2-乙基己酸己酯?
The molecular formula of 2-乙基己酸己酯 is C14H28O2.
What is the molecular weight of 2-乙基己酸己酯?
The molecular weight of 2-乙基己酸己酯 is 228.21 g/mol.
Where can I buy 2-乙基己酸己酯?
You can request a quote for 2-乙基己酸己酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙基己酸己酯?
Yes, KEHONG BIO provides custom synthesis services for 2-乙基己酸己酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.