Methyl 4-fluoro-2-hydroxybutanoate
TL;DR: Methyl 4-fluoro-2-hydroxybutanoate (CAS 63904-99-4) is a chemical compound with molecular formula C5H9FO3 and molecular weight 136.05357 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-fluoro-2-hydroxybutanoate
Also Known As: methyl 4-fluoro-2-hydroxybutanoate, 4-Fluoro-2-hydroxybutyric acid methyl ester, TL 1333, Methyl gamma-fluoro-beta-hydroxybutyrate, Butyric acid, gamma-fluoro-beta-hydroxy-, methyl ester
Technical Specifications
| Molecular Formula | C5H9FO3 |
| Molecular Weight | 136.05357 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 136.05357 Da |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
| SMILES | COC(=O)C(CCF)O |
| InChIKey | NECLRVWWJVIMBL-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-fluoro-2-hydroxybutanoate
Property Insights of Methyl 4-fluoro-2-hydroxybutanoate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-fluoro-2-hydroxybutanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 4-fluoro-2-hydroxybutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-fluoro-2-hydroxybutanoate 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
What is the CAS number of Methyl 4-fluoro-2-hydroxybutanoate?
The CAS number of Methyl 4-fluoro-2-hydroxybutanoate is 63904-99-4.
What is the molecular formula of Methyl 4-fluoro-2-hydroxybutanoate?
The molecular formula of Methyl 4-fluoro-2-hydroxybutanoate is C5H9FO3.
What is the molecular weight of Methyl 4-fluoro-2-hydroxybutanoate?
The molecular weight of Methyl 4-fluoro-2-hydroxybutanoate is 136.05357 g/mol.
Where can I buy Methyl 4-fluoro-2-hydroxybutanoate?
You can request a quote for Methyl 4-fluoro-2-hydroxybutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-fluoro-2-hydroxybutanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-fluoro-2-hydroxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.