3-(4-Fluorophenyl)-2-propenoic acid
TL;DR: 3-(4-Fluorophenyl)-2-propenoic acid (CAS 459-32-5) is a chemical compound with molecular formula C9H7FO2 and molecular weight 166.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)prop-2-enoic acid
Also Known As: 4-Fluorocinnamic acid, 3-(4-fluorophenyl)acrylic acid, p-Fluorocinnamic acid, (E)-3-(4-Fluorophenyl)acrylic acid, 4-fluoro cinnamic acid
| Molecular Formula | C9H7FO2 |
|---|---|
| Molecular Weight | 166.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.04301 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 459-32-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC(=O)O)F |
| InChIKey | ISMMYAZSUSYVQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Fluorophenyl)-2-propenoic acid (CAS 459-32-5), with molecular formula C9H7FO2 and molecular weight 166.04 g/mol. IUPAC: 3-(4-fluorophenyl)prop-2-enoic acid.
Chemical Property Profile of 3-(4-Fluorophenyl)-2-propenoic acid
Property Insights of 3-(4-Fluorophenyl)-2-propenoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Fluorophenyl)-2-propenoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(4-Fluorophenyl)-2-propenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Fluorophenyl)-2-propenoic 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
Frequently Asked Questions
What is the CAS number of 3-(4-Fluorophenyl)-2-propenoic acid?
The CAS number of 3-(4-Fluorophenyl)-2-propenoic acid is 459-32-5.
What is the molecular formula of 3-(4-Fluorophenyl)-2-propenoic acid?
The molecular formula of 3-(4-Fluorophenyl)-2-propenoic acid is C9H7FO2.
What is the molecular weight of 3-(4-Fluorophenyl)-2-propenoic acid?
The molecular weight of 3-(4-Fluorophenyl)-2-propenoic acid is 166.04 g/mol.
Where can I buy 3-(4-Fluorophenyl)-2-propenoic acid?
You can request a quote for 3-(4-Fluorophenyl)-2-propenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Fluorophenyl)-2-propenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Fluorophenyl)-2-propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.