3-(2,3,4,5,6-Pentafluorophenyl)prop-2-enoic acid
TL;DR: 3-(2,3,4,5,6-Pentafluorophenyl)prop-2-enoic acid (CAS 175135-63-4) is a chemical compound with molecular formula C9H3F5O2 and molecular weight 238.01 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)prop-2-enoic acid
Also Known As: 3-(Perfluorophenyl)acrylic acid, Pentafluorocinnamic acid, 2,3,4,5,6-Pentafluorocinnamic acid, pentafluoro-cinnamic acid, Penta-Fluorocinnamic Acid
| Molecular Formula | C9H3F5O2 |
|---|---|
| Molecular Weight | 238.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.00533 |
| Heavy Atoms | 16 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 175135-63-4 |
|---|---|
| SMILES | C(=CC(=O)O)C1=C(C(=C(C(=C1F)F)F)F)F |
| InChIKey | IUUKDBLGVZISGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2,3,4,5,6-Pentafluorophenyl)prop-2-enoic acid (CAS 175135-63-4), with molecular formula C9H3F5O2 and molecular weight 238.01 g/mol. IUPAC: 3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoic acid.
Chemical Property Profile of 3-(2,3,4,5,6-Pentafluorophenyl)prop-2-enoic acid
Property Insights of 3-(2,3,4,5,6-Pentafluorophenyl)prop-2-enoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,3,4,5,6-Pentafluorophenyl)prop-2-enoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(2,3,4,5,6-Pentafluorophenyl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,3,4,5,6-Pentafluorophenyl)prop-2-enoic 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-(2,3,4,5,6-Pentafluorophenyl)prop-2-enoic acid?
The CAS number of 3-(2,3,4,5,6-Pentafluorophenyl)prop-2-enoic acid is 175135-63-4.
What is the molecular formula of 3-(2,3,4,5,6-Pentafluorophenyl)prop-2-enoic acid?
The molecular formula of 3-(2,3,4,5,6-Pentafluorophenyl)prop-2-enoic acid is C9H3F5O2.
What is the molecular weight of 3-(2,3,4,5,6-Pentafluorophenyl)prop-2-enoic acid?
The molecular weight of 3-(2,3,4,5,6-Pentafluorophenyl)prop-2-enoic acid is 238.01 g/mol.
Where can I buy 3-(2,3,4,5,6-Pentafluorophenyl)prop-2-enoic acid?
You can request a quote for 3-(2,3,4,5,6-Pentafluorophenyl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,3,4,5,6-Pentafluorophenyl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,3,4,5,6-Pentafluorophenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.