2-Ethyl-3-oxobutanoic acid
TL;DR: 2-Ethyl-3-oxobutanoic acid (CAS 4433-85-6) is a chemical compound with molecular formula C6H10O3 and molecular weight 130.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-3-oxobutanoic acid
Also Known As: 2-ETHYLACETOACETIC ACID, 2-ethyl-3-oxobutanoic acid, Aethyldiacetsaure, 2-acetylbutyric acid, 2-acetylbutanoic acid
| Molecular Formula | C6H10O3 |
|---|---|
| Molecular Weight | 130.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 130.06299 |
| Heavy Atoms | 9 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 4433-85-6 |
|---|---|
| SMILES | CCC(C(=O)C)C(=O)O |
| InChIKey | JWDSCUIQYJUHHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethyl-3-oxobutanoic acid (CAS 4433-85-6), with molecular formula C6H10O3 and molecular weight 130.06 g/mol. IUPAC: 2-ethyl-3-oxobutanoic acid.
Chemical Property Profile of 2-Ethyl-3-oxobutanoic acid
Property Insights of 2-Ethyl-3-oxobutanoic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-3-oxobutanoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 2-Ethyl-3-oxobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-3-oxobutanoic acid 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-Ethyl-3-oxobutanoic acid?
The CAS number of 2-Ethyl-3-oxobutanoic acid is 4433-85-6.
What is the molecular formula of 2-Ethyl-3-oxobutanoic acid?
The molecular formula of 2-Ethyl-3-oxobutanoic acid is C6H10O3.
What is the molecular weight of 2-Ethyl-3-oxobutanoic acid?
The molecular weight of 2-Ethyl-3-oxobutanoic acid is 130.06 g/mol.
Where can I buy 2-Ethyl-3-oxobutanoic acid?
You can request a quote for 2-Ethyl-3-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-3-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-3-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.