(R,S)-2-Fluoro-3-oxo-butyric acid ethyl ester
TL;DR: (R,S)-2-Fluoro-3-oxo-butyric acid ethyl ester (CAS 1522-41-4) is a chemical compound with molecular formula C6H9FO3 and molecular weight 148.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2-fluoro-3-oxobutanoate
Also Known As: ethyl (2S)-2-fluoro-3-oxobutanoate, (R,S)-2-Fluoro-3-oxo-butyric acid ethyl ester
| Molecular Formula | C6H9FO3 |
|---|---|
| Molecular Weight | 148.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 148.05357 |
| Heavy Atoms | 10 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 1522-41-4 |
|---|---|
| SMILES | CCOC(=O)[C@H](C(=O)C)F |
| InChIKey | SHTFQLHOTAJQRJ-YFKPBYRVSA-N |
Product Overview
(R,S)-2-Fluoro-3-oxo-butyric acid ethyl ester (CAS 1522-41-4), with molecular formula C6H9FO3 and molecular weight 148.05 g/mol. IUPAC: ethyl (2S)-2-fluoro-3-oxobutanoate.
Chemical Property Profile of (R,S)-2-Fluoro-3-oxo-butyric acid ethyl ester
Property Insights of (R,S)-2-Fluoro-3-oxo-butyric acid ethyl ester
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (R,S)-2-Fluoro-3-oxo-butyric acid ethyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, (R,S)-2-Fluoro-3-oxo-butyric acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (R,S)-2-Fluoro-3-oxo-butyric acid ethyl ester has 0 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 (R,S)-2-Fluoro-3-oxo-butyric acid ethyl ester?
The CAS number of (R,S)-2-Fluoro-3-oxo-butyric acid ethyl ester is 1522-41-4.
What is the molecular formula of (R,S)-2-Fluoro-3-oxo-butyric acid ethyl ester?
The molecular formula of (R,S)-2-Fluoro-3-oxo-butyric acid ethyl ester is C6H9FO3.
What is the molecular weight of (R,S)-2-Fluoro-3-oxo-butyric acid ethyl ester?
The molecular weight of (R,S)-2-Fluoro-3-oxo-butyric acid ethyl ester is 148.05 g/mol.
Where can I buy (R,S)-2-Fluoro-3-oxo-butyric acid ethyl ester?
You can request a quote for (R,S)-2-Fluoro-3-oxo-butyric acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (R,S)-2-Fluoro-3-oxo-butyric acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (R,S)-2-Fluoro-3-oxo-butyric acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.