2-Hydroxyethyl isobutyrate
TL;DR: 2-Hydroxyethyl isobutyrate (CAS 6942-58-1) 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.
2-hydroxyethyl 2-methylpropanoate
Also Known As: 2-hydroxyethyl 2-methylpropanoate, 2-Hydroxyethyl isobutyrate, 2-hydroxyethylisobutyrate, 2-hydroxyethyl2-methylpropanoate, ethylene glycol monoisobutyrate
| Molecular Formula | C6H12O3 |
|---|---|
| Molecular Weight | 132.08 g/mol |
| LogP | 0.5 |
| 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 | 88.0 |
Chemical Identifiers
| CAS Number | 6942-58-1 |
|---|---|
| SMILES | CC(C)C(=O)OCCO |
| InChIKey | BEKXVQRVZUYDLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxyethyl isobutyrate (CAS 6942-58-1), with molecular formula C6H12O3 and molecular weight 132.08 g/mol. IUPAC: 2-hydroxyethyl 2-methylpropanoate.
Chemical Property Profile of 2-Hydroxyethyl isobutyrate
Property Insights of 2-Hydroxyethyl isobutyrate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxyethyl isobutyrate. With a topological polar surface area (TPSA) of 46.5 Ų, 2-Hydroxyethyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxyethyl isobutyrate 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 isobutyrate?
The CAS number of 2-Hydroxyethyl isobutyrate is 6942-58-1.
What is the molecular formula of 2-Hydroxyethyl isobutyrate?
The molecular formula of 2-Hydroxyethyl isobutyrate is C6H12O3.
What is the molecular weight of 2-Hydroxyethyl isobutyrate?
The molecular weight of 2-Hydroxyethyl isobutyrate is 132.08 g/mol.
Where can I buy 2-Hydroxyethyl isobutyrate?
You can request a quote for 2-Hydroxyethyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxyethyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxyethyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.