Ethyl 3-hydroxyoctanoate
TL;DR: Ethyl 3-hydroxyoctanoate (CAS 7367-90-0) is a chemical compound with molecular formula C10H20O3 and molecular weight 188.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-hydroxyoctanoate
Also Known As: Ethyl 3-hydroxyoctanoate, Ethyl3-hydroxyoctanoate, 3-Hydroxyoctanoic acid ethyl ester, FEMA NO. 4453, 3-Hydroxycaprylic acid ethyl ester
| Molecular Formula | C10H20O3 |
|---|---|
| Molecular Weight | 188.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 188.14125 |
| Heavy Atoms | 13 |
| Complexity | 134.0 |
| Boiling Point | 275.00 to 276.00 °C. @ 760.00 mm Hg |
| Density | 0.947-0.955 (20°) |
| Solubility | Practically insoluble or insoluble in water |
| Refractive Index | 1.430-1.438 |
Chemical Identifiers
| CAS Number | 7367-90-0 |
|---|---|
| SMILES | CCCCCC(CC(=O)OCC)O |
| InChIKey | VGWUJHSTGYCXQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-hydroxyoctanoate (CAS 7367-90-0), with molecular formula C10H20O3 and molecular weight 188.14 g/mol. IUPAC: ethyl 3-hydroxyoctanoate.
Chemical Property Profile of Ethyl 3-hydroxyoctanoate
Property Insights of Ethyl 3-hydroxyoctanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-hydroxyoctanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 3-hydroxyoctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-hydroxyoctanoate 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-hydroxyoctanoate?
The CAS number of Ethyl 3-hydroxyoctanoate is 7367-90-0.
What is the molecular formula of Ethyl 3-hydroxyoctanoate?
The molecular formula of Ethyl 3-hydroxyoctanoate is C10H20O3.
What is the molecular weight of Ethyl 3-hydroxyoctanoate?
The molecular weight of Ethyl 3-hydroxyoctanoate is 188.14 g/mol.
Where can I buy Ethyl 3-hydroxyoctanoate?
You can request a quote for Ethyl 3-hydroxyoctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-hydroxyoctanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-hydroxyoctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.