2-Hydroxyethyl hexanoate
TL;DR: 2-Hydroxyethyl hexanoate (CAS 84547-86-4) is a chemical compound with molecular formula C8H16O3 and molecular weight 160.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyethyl hexanoate
Also Known As: 2-hydroxyethyl hexanoate, Ethylene glycol monohexanoate, 2-Hydroxyethyl caproate, 2-hydroxy-ethyl caproate, Polyethylene glycol caprate
| Molecular Formula | C8H16O3 |
|---|---|
| Molecular Weight | 160.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 160.10994 |
| Heavy Atoms | 11 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 84547-86-4 |
|---|---|
| SMILES | CCCCCC(=O)OCCO |
| InChIKey | JUVBNUWZRZREEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxyethyl hexanoate (CAS 84547-86-4), with molecular formula C8H16O3 and molecular weight 160.11 g/mol. IUPAC: 2-hydroxyethyl hexanoate.
Chemical Property Profile of 2-Hydroxyethyl hexanoate
Property Insights of 2-Hydroxyethyl hexanoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxyethyl hexanoate. With a topological polar surface area (TPSA) of 46.5 Ų, 2-Hydroxyethyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxyethyl hexanoate has 1 hydrogen bond donor(s) and 3 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 2-Hydroxyethyl hexanoate?
The CAS number of 2-Hydroxyethyl hexanoate is 84547-86-4.
What is the molecular formula of 2-Hydroxyethyl hexanoate?
The molecular formula of 2-Hydroxyethyl hexanoate is C8H16O3.
What is the molecular weight of 2-Hydroxyethyl hexanoate?
The molecular weight of 2-Hydroxyethyl hexanoate is 160.11 g/mol.
Where can I buy 2-Hydroxyethyl hexanoate?
You can request a quote for 2-Hydroxyethyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxyethyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxyethyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.