Ethyl 3-Hydroxybutyrate
TL;DR: Ethyl 3-Hydroxybutyrate (CAS 5405-41-4) is a chemical compound with molecular formula C6H12O3 and molecular weight 132.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-hydroxybutanoate
Also Known As: Ethyl 3-hydroxybutyrate, Ethyl 3-hydroxybutanoate, grape butyrate, Ethyl beta-hydroxybutyrate, Ethyl (R)-3-hydroxybutyrate
| Molecular Formula | C6H12O3 |
|---|---|
| Molecular Weight | 132.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 132.07864 |
| Heavy Atoms | 9 |
| Complexity | 90.0 |
| Boiling Point | 170.0 °C at 760 mmHg |
| Density | 1.017 |
| Solubility | greater than or equal to 100 mg/mL at 73 °F (NTP, 1992) |
| Flash Point | 64.4 °C |
| Refractive Index | 1.416-1.424 |
Chemical Identifiers
| CAS Number | 5405-41-4 |
|---|---|
| SMILES | CCOC(=O)CC(C)O |
| InChIKey | OMSUIQOIVADKIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-Hydroxybutyrate (CAS 5405-41-4), with molecular formula C6H12O3 and molecular weight 132.08 g/mol. IUPAC: ethyl 3-hydroxybutanoate.
Chemical Property Profile of Ethyl 3-Hydroxybutyrate
Property Insights of Ethyl 3-Hydroxybutyrate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-Hydroxybutyrate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 3-Hydroxybutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-Hydroxybutyrate 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-Hydroxybutyrate?
The CAS number of Ethyl 3-Hydroxybutyrate is 5405-41-4.
What is the molecular formula of Ethyl 3-Hydroxybutyrate?
The molecular formula of Ethyl 3-Hydroxybutyrate is C6H12O3.
What is the molecular weight of Ethyl 3-Hydroxybutyrate?
The molecular weight of Ethyl 3-Hydroxybutyrate is 132.08 g/mol.
Where can I buy Ethyl 3-Hydroxybutyrate?
You can request a quote for Ethyl 3-Hydroxybutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-Hydroxybutyrate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-Hydroxybutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.