Butanoic acid, 3-oxo-, 2-hydroxyethyl ester
TL;DR: Butanoic acid, 3-oxo-, 2-hydroxyethyl ester (CAS 33736-01-5) is a chemical compound with molecular formula C6H10O4 and molecular weight 146.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyethyl 3-oxobutanoate
Also Known As: 2-Hydroxyethyl acetoacetate, 2-Hydroxyethyl 3-oxobutanoate, 2-Hydroxy-ethyl acetoacetate, 2-Hydroxyethyl3-oxobutanoate, 2-Hydroxyethyl 3-oxobutyrate
| Molecular Formula | C6H10O4 |
|---|---|
| Molecular Weight | 146.06 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.0579 |
| Heavy Atoms | 10 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 33736-01-5 |
|---|---|
| SMILES | CC(=O)CC(=O)OCCO |
| InChIKey | HBVWZQCLPFPSCF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 3-oxo-, 2-hydroxyethyl ester (CAS 33736-01-5), with molecular formula C6H10O4 and molecular weight 146.06 g/mol. IUPAC: 2-hydroxyethyl 3-oxobutanoate.
Chemical Property Profile of Butanoic acid, 3-oxo-, 2-hydroxyethyl ester
Property Insights of Butanoic acid, 3-oxo-, 2-hydroxyethyl ester
The XLogP value of -0.8 indicates that Butanoic acid, 3-oxo-, 2-hydroxyethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 3-oxo-, 2-hydroxyethyl ester. Following Lipinski's Rule of Five, Butanoic acid, 3-oxo-, 2-hydroxyethyl ester has 1 hydrogen bond donor(s) and 4 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 Butanoic acid, 3-oxo-, 2-hydroxyethyl ester?
The CAS number of Butanoic acid, 3-oxo-, 2-hydroxyethyl ester is 33736-01-5.
What is the molecular formula of Butanoic acid, 3-oxo-, 2-hydroxyethyl ester?
The molecular formula of Butanoic acid, 3-oxo-, 2-hydroxyethyl ester is C6H10O4.
What is the molecular weight of Butanoic acid, 3-oxo-, 2-hydroxyethyl ester?
The molecular weight of Butanoic acid, 3-oxo-, 2-hydroxyethyl ester is 146.06 g/mol.
Where can I buy Butanoic acid, 3-oxo-, 2-hydroxyethyl ester?
You can request a quote for Butanoic acid, 3-oxo-, 2-hydroxyethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 3-oxo-, 2-hydroxyethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 3-oxo-, 2-hydroxyethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.