Ethyl 3-hydroxyhexanoate
TL;DR: Ethyl 3-hydroxyhexanoate (CAS 2305-25-1) 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.
ethyl 3-hydroxyhexanoate
Also Known As: Ethyl 3-hydroxyhexanoate, Hexanoic acid, 3-hydroxy-, ethyl ester, Ethyl beta-hydroxycaproate, Ethyl 3-hydroxycaproate, ethyl 3-hydroxy-hexanoate
| Molecular Formula | C8H16O3 |
|---|---|
| Molecular Weight | 160.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 160.10994 |
| Heavy Atoms | 11 |
| Complexity | 112.0 |
| Boiling Point | 101.00 to 102.00 °C. @ 14.00 mm Hg |
| Density | 0.967-0.976 |
| Solubility | insoluble in water and oils |
| Refractive Index | 1.423-1.433 |
Chemical Identifiers
| CAS Number | 2305-25-1 |
|---|---|
| SMILES | CCCC(CC(=O)OCC)O |
| InChIKey | LYRIITRHDCNUHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-hydroxyhexanoate (CAS 2305-25-1), with molecular formula C8H16O3 and molecular weight 160.11 g/mol. IUPAC: ethyl 3-hydroxyhexanoate.
Chemical Property Profile of Ethyl 3-hydroxyhexanoate
Property Insights of Ethyl 3-hydroxyhexanoate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-hydroxyhexanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 3-hydroxyhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-hydroxyhexanoate 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 Ethyl 3-hydroxyhexanoate?
The CAS number of Ethyl 3-hydroxyhexanoate is 2305-25-1.
What is the molecular formula of Ethyl 3-hydroxyhexanoate?
The molecular formula of Ethyl 3-hydroxyhexanoate is C8H16O3.
What is the molecular weight of Ethyl 3-hydroxyhexanoate?
The molecular weight of Ethyl 3-hydroxyhexanoate is 160.11 g/mol.
Where can I buy Ethyl 3-hydroxyhexanoate?
You can request a quote for Ethyl 3-hydroxyhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-hydroxyhexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-hydroxyhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.