Ethyl 2-ethyl-2-hydroxybutanoate
TL;DR: Ethyl 2-ethyl-2-hydroxybutanoate (CAS 5582-86-5) 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 2-ethyl-2-hydroxybutanoate
Also Known As: ethyl 2-ethyl-2-hydroxybutanoate
| Molecular Formula | C8H16O3 |
|---|---|
| Molecular Weight | 160.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 160.10994 |
| Heavy Atoms | 11 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 5582-86-5 |
|---|---|
| SMILES | CCC(CC)(C(=O)OCC)O |
| InChIKey | KWWWILDODXIJAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-ethyl-2-hydroxybutanoate (CAS 5582-86-5), with molecular formula C8H16O3 and molecular weight 160.11 g/mol. IUPAC: ethyl 2-ethyl-2-hydroxybutanoate.
Chemical Property Profile of Ethyl 2-ethyl-2-hydroxybutanoate
Property Insights of Ethyl 2-ethyl-2-hydroxybutanoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-ethyl-2-hydroxybutanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 2-ethyl-2-hydroxybutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-ethyl-2-hydroxybutanoate 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 2-ethyl-2-hydroxybutanoate?
The CAS number of Ethyl 2-ethyl-2-hydroxybutanoate is 5582-86-5.
What is the molecular formula of Ethyl 2-ethyl-2-hydroxybutanoate?
The molecular formula of Ethyl 2-ethyl-2-hydroxybutanoate is C8H16O3.
What is the molecular weight of Ethyl 2-ethyl-2-hydroxybutanoate?
The molecular weight of Ethyl 2-ethyl-2-hydroxybutanoate is 160.11 g/mol.
Where can I buy Ethyl 2-ethyl-2-hydroxybutanoate?
You can request a quote for Ethyl 2-ethyl-2-hydroxybutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-ethyl-2-hydroxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-ethyl-2-hydroxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.