3-(4-Fluorophenyl)prop-2-ynoic acid
TL;DR: 3-(4-Fluorophenyl)prop-2-ynoic acid (CAS 706-06-9) is a chemical compound with molecular formula C9H5FO2 and molecular weight 164.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)prop-2-ynoic acid
Also Known As: 3-(4-Fluorophenyl)propiolic acid, 3-(4-fluorophenyl)prop-2-ynoic Acid, (4-fluorophenyl)propiolic acid, (4-Fluorophenyl)propyneoic acid, 3-(4-Fluorophenyl)propiolicacid
| Molecular Formula | C9H5FO2 |
|---|---|
| Molecular Weight | 164.03 g/mol |
| LogP | 1.2618 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.02736 |
| Heavy Atoms | 12 |
| Complexity | 343.03156 |
Chemical Identifiers
| CAS Number | 706-06-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C#CC(=O)O)F |
Product Overview
3-(4-Fluorophenyl)prop-2-ynoic acid (CAS 706-06-9), with molecular formula C9H5FO2 and molecular weight 164.03 g/mol. IUPAC: 3-(4-fluorophenyl)prop-2-ynoic acid.
Chemical Property Profile of 3-(4-Fluorophenyl)prop-2-ynoic acid
Property Insights of 3-(4-Fluorophenyl)prop-2-ynoic acid
The XLogP value of 1.2618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Fluorophenyl)prop-2-ynoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(4-Fluorophenyl)prop-2-ynoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Fluorophenyl)prop-2-ynoic acid has 1 hydrogen bond donor(s) and 1 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)prop-2-ynoic acid?
The CAS number of 3-(4-Fluorophenyl)prop-2-ynoic acid is 706-06-9.
What is the molecular formula of 3-(4-Fluorophenyl)prop-2-ynoic acid?
The molecular formula of 3-(4-Fluorophenyl)prop-2-ynoic acid is C9H5FO2.
What is the molecular weight of 3-(4-Fluorophenyl)prop-2-ynoic acid?
The molecular weight of 3-(4-Fluorophenyl)prop-2-ynoic acid is 164.03 g/mol.
Where can I buy 3-(4-Fluorophenyl)prop-2-ynoic acid?
You can request a quote for 3-(4-Fluorophenyl)prop-2-ynoic 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)prop-2-ynoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Fluorophenyl)prop-2-ynoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.