alpha-Fluorobenzenepropanoic acid
TL;DR: alpha-Fluorobenzenepropanoic acid (CAS 457-45-4) is a chemical compound with molecular formula C9H9FO2 and molecular weight 168.05865 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-fluoro-3-phenylpropanoic acid
Also Known As: 2-fluoro-3-phenylpropanoic acid, alpha-Fluorohydrocinnamic acid, alpha-Fluorobenzenepropanoic acid, Benzenepropanoic acid, a-fluoro-, Benzenepropanoic acid, alpha-fluoro-
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9FO2 |
| Molecular Weight | 168.05865 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.05865 Da |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
| SMILES | C1=CC=C(C=C1)CC(C(=O)O)F |
| InChIKey | SFJKLGCBWSLDGQ-UHFFFAOYSA-N |
Product Description
Applications: alpha-Fluorobenzenepropanoic acid is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies alpha-Fluorobenzenepropanoic acid (CAS 457-45-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
alpha-Fluorobenzenepropanoic acid is a organic building block identified by CAS number 457-45-4 and the molecular formula C9H9FO2 and a molecular weight of 168.06 g/mol. It is also known as 2-fluoro-3-phenylpropanoic acid and alpha-Fluorohydrocinnamic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of alpha-Fluorobenzenepropanoic acid
Property Insights of alpha-Fluorobenzenepropanoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Fluorobenzenepropanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, alpha-Fluorobenzenepropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Fluorobenzenepropanoic 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
What is the CAS number of alpha-Fluorobenzenepropanoic acid?
The CAS number of alpha-Fluorobenzenepropanoic acid is 457-45-4.
What is the molecular formula of alpha-Fluorobenzenepropanoic acid?
The molecular formula of alpha-Fluorobenzenepropanoic acid is C9H9FO2.
What is the molecular weight of alpha-Fluorobenzenepropanoic acid?
The molecular weight of alpha-Fluorobenzenepropanoic acid is 168.05865 g/mol.
What are the applications of alpha-Fluorobenzenepropanoic acid?
alpha-Fluorobenzenepropanoic acid is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy alpha-Fluorobenzenepropanoic acid?
You can request a quote for alpha-Fluorobenzenepropanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for alpha-Fluorobenzenepropanoic acid?
Yes, CoreyChem provides custom synthesis services for alpha-Fluorobenzenepropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.