3-(2-Fluorophenyl)propanoate
TL;DR: 3-(2-Fluorophenyl)propanoate (CAS 1643-26-1) is a chemical compound with molecular formula C9H8FO2- and molecular weight 167.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-fluorophenyl)propanoate
Also Known As: 3-(2-fluorophenyl)propanoate, 3-(2-Fluorophenyl)propionic acid, I14-5036
| Molecular Formula | C9H8FO2- |
|---|---|
| Molecular Weight | 167.05 g/mol |
| LogP | 0.5082 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.05083 |
| Heavy Atoms | 12 |
| Complexity | 283.61197 |
Chemical Identifiers
| CAS Number | 1643-26-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CCC(=O)[O-])F |
Product Overview
3-(2-Fluorophenyl)propanoate (CAS 1643-26-1), with molecular formula C9H8FO2- and molecular weight 167.05 g/mol. IUPAC: 3-(2-fluorophenyl)propanoate.
Chemical Property Profile of 3-(2-Fluorophenyl)propanoate
Property Insights of 3-(2-Fluorophenyl)propanoate
The XLogP value of 0.5082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Fluorophenyl)propanoate. With a topological polar surface area (TPSA) of 40.13 Ų, 3-(2-Fluorophenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Fluorophenyl)propanoate has 0 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-(2-Fluorophenyl)propanoate?
The CAS number of 3-(2-Fluorophenyl)propanoate is 1643-26-1.
What is the molecular formula of 3-(2-Fluorophenyl)propanoate?
The molecular formula of 3-(2-Fluorophenyl)propanoate is C9H8FO2-.
What is the molecular weight of 3-(2-Fluorophenyl)propanoate?
The molecular weight of 3-(2-Fluorophenyl)propanoate is 167.05 g/mol.
Where can I buy 3-(2-Fluorophenyl)propanoate?
You can request a quote for 3-(2-Fluorophenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Fluorophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Fluorophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.