3-Fluoro-2-oxobutanoic acid
TL;DR: 3-Fluoro-2-oxobutanoic acid (CAS 3413-70-5) is a chemical compound with molecular formula C4H5FO3 and molecular weight 120.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoro-2-oxobutanoic acid
Also Known As: 3-fluoro-2-oxobutanoic acid, 3-Fluoro-2-oxobutyric acid, 3-fluoro-2-oxo-butanoic Acid
| Molecular Formula | C4H5FO3 |
|---|---|
| Molecular Weight | 120.02 g/mol |
| LogP | -0.0019 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 120.02227 |
| Heavy Atoms | 8 |
| Complexity | 118.45183 |
Chemical Identifiers
| CAS Number | 3413-70-5 |
|---|---|
| SMILES | CC(C(=O)C(=O)O)F |
Product Overview
3-Fluoro-2-oxobutanoic acid (CAS 3413-70-5), with molecular formula C4H5FO3 and molecular weight 120.02 g/mol. IUPAC: 3-fluoro-2-oxobutanoic acid.
Chemical Property Profile of 3-Fluoro-2-oxobutanoic acid
Property Insights of 3-Fluoro-2-oxobutanoic acid
The XLogP value of -0.0019 indicates that 3-Fluoro-2-oxobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.37 Ų, 3-Fluoro-2-oxobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoro-2-oxobutanoic acid has 1 hydrogen bond donor(s) and 2 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 3-Fluoro-2-oxobutanoic acid?
The CAS number of 3-Fluoro-2-oxobutanoic acid is 3413-70-5.
What is the molecular formula of 3-Fluoro-2-oxobutanoic acid?
The molecular formula of 3-Fluoro-2-oxobutanoic acid is C4H5FO3.
What is the molecular weight of 3-Fluoro-2-oxobutanoic acid?
The molecular weight of 3-Fluoro-2-oxobutanoic acid is 120.02 g/mol.
Where can I buy 3-Fluoro-2-oxobutanoic acid?
You can request a quote for 3-Fluoro-2-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoro-2-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoro-2-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.