α-氟苯丙酸
TL;DR: α-氟苯丙酸 (CAS 457-45-4) is a chemical compound with molecular formula C9H9FO2 and molecular weight 168.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-氟苯丙酸
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-
| Molecular Formula | C9H9FO2 |
|---|---|
| Molecular Weight | 168.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.05865 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 457-45-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)O)F |
| InChIKey | SFJKLGCBWSLDGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α-氟苯丙酸 (CAS 457-45-4), with molecular formula C9H9FO2 and molecular weight 168.06 g/mol. IUPAC: 2-fluoro-3-phenylpropanoic acid.
Chemical Property Profile of α-氟苯丙酸
Property Insights of α-氟苯丙酸
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for α-氟苯丙酸. With a topological polar surface area (TPSA) of 37.3 Ų, α-氟苯丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, α-氟苯丙酸 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 α-氟苯丙酸?
The CAS number of α-氟苯丙酸 is 457-45-4.
What is the molecular formula of α-氟苯丙酸?
The molecular formula of α-氟苯丙酸 is C9H9FO2.
What is the molecular weight of α-氟苯丙酸?
The molecular weight of α-氟苯丙酸 is 168.06 g/mol.
Where can I buy α-氟苯丙酸?
You can request a quote for α-氟苯丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-氟苯丙酸?
Yes, KEHONG BIO provides custom synthesis services for α-氟苯丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.