3-(Pentafluorophenyl)propionic acid
TL;DR: 3-(Pentafluorophenyl)propionic acid (CAS 201224-92-2) is a chemical compound with molecular formula C9H5F5O2 and molecular weight 240.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3,4,5,6-pentafluorophenyl)propanoic acid
Also Known As: 3-(Pentafluorophenyl)propionic acid, 3-(Perfluorophenyl)propanoic acid, 3-(pentafluorophenyl)propanoic acid, 3- propionicacid, Penta-Fluorocinnamic Acid
| Molecular Formula | C9H5F5O2 |
|---|---|
| Molecular Weight | 240.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.02097 |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 201224-92-2 |
|---|---|
| SMILES | C(CC(=O)O)C1=C(C(=C(C(=C1F)F)F)F)F |
| InChIKey | KBAMYOFXGBJADC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Pentafluorophenyl)propionic acid (CAS 201224-92-2), with molecular formula C9H5F5O2 and molecular weight 240.02 g/mol. IUPAC: 3-(2,3,4,5,6-pentafluorophenyl)propanoic acid.
Chemical Property Profile of 3-(Pentafluorophenyl)propionic acid
Property Insights of 3-(Pentafluorophenyl)propionic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Pentafluorophenyl)propionic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(Pentafluorophenyl)propionic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Pentafluorophenyl)propionic acid has 1 hydrogen bond donor(s) and 7 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-(Pentafluorophenyl)propionic acid?
The CAS number of 3-(Pentafluorophenyl)propionic acid is 201224-92-2.
What is the molecular formula of 3-(Pentafluorophenyl)propionic acid?
The molecular formula of 3-(Pentafluorophenyl)propionic acid is C9H5F5O2.
What is the molecular weight of 3-(Pentafluorophenyl)propionic acid?
The molecular weight of 3-(Pentafluorophenyl)propionic acid is 240.02 g/mol.
Where can I buy 3-(Pentafluorophenyl)propionic acid?
You can request a quote for 3-(Pentafluorophenyl)propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Pentafluorophenyl)propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Pentafluorophenyl)propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.