Hexanoic acid, 1,1'-(oxydi-2,1-ethanediyl) ester
TL;DR: Hexanoic acid, 1,1'-(oxydi-2,1-ethanediyl) ester (CAS 5409-62-1) is a chemical compound with molecular formula C16H30O5 and molecular weight 302.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hexanoyloxyethoxy)ethyl hexanoate
Also Known As: Oxydiethylene hexanoate, Diethylene glycol dihexanoate, Diethylene glycol, bis(caproate), oxydiethane-2,1-diyl dihexanoate, 2-(2-hexanoyloxyethoxy)ethyl hexanoate
| Molecular Formula | C16H30O5 |
|---|---|
| Molecular Weight | 302.21 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Exact Mass | 302.20932 |
| Heavy Atoms | 21 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 5409-62-1 |
|---|---|
| SMILES | CCCCCC(=O)OCCOCCOC(=O)CCCCC |
| InChIKey | XSTGQVSZAOQMPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanoic acid, 1,1'-(oxydi-2,1-ethanediyl) ester (CAS 5409-62-1), with molecular formula C16H30O5 and molecular weight 302.21 g/mol. IUPAC: 2-(2-hexanoyloxyethoxy)ethyl hexanoate.
Chemical Property Profile of Hexanoic acid, 1,1'-(oxydi-2,1-ethanediyl) ester
Property Insights of Hexanoic acid, 1,1'-(oxydi-2,1-ethanediyl) ester
The XLogP value of 3.7 indicates that Hexanoic acid, 1,1'-(oxydi-2,1-ethanediyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexanoic acid, 1,1'-(oxydi-2,1-ethanediyl) ester. Following Lipinski's Rule of Five, Hexanoic acid, 1,1'-(oxydi-2,1-ethanediyl) ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexanoic acid, 1,1'-(oxydi-2,1-ethanediyl) ester?
The CAS number of Hexanoic acid, 1,1'-(oxydi-2,1-ethanediyl) ester is 5409-62-1.
What is the molecular formula of Hexanoic acid, 1,1'-(oxydi-2,1-ethanediyl) ester?
The molecular formula of Hexanoic acid, 1,1'-(oxydi-2,1-ethanediyl) ester is C16H30O5.
What is the molecular weight of Hexanoic acid, 1,1'-(oxydi-2,1-ethanediyl) ester?
The molecular weight of Hexanoic acid, 1,1'-(oxydi-2,1-ethanediyl) ester is 302.21 g/mol.
Where can I buy Hexanoic acid, 1,1'-(oxydi-2,1-ethanediyl) ester?
You can request a quote for Hexanoic acid, 1,1'-(oxydi-2,1-ethanediyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 1,1'-(oxydi-2,1-ethanediyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 1,1'-(oxydi-2,1-ethanediyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.