2,3,4,5,6-Pentafluorocinnamic acid
TL;DR: 2,3,4,5,6-Pentafluorocinnamic acid (CAS 19089-73-7) 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.
(E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoic acid
Also Known As: 2,3,4,5,6-Pentafluorocinnamic acid, Pentafluorocinnamic acid, 3-(Perfluorophenyl)acrylic acid, Penta-Fluorocinnamic Acid, 3-(Pentafluorophenyl)acrylic acid
| Molecular Formula | C9H3F5O2 |
|---|---|
| Molecular Weight | 238.01 g/mol |
| LogP | 2.4799 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.00533 |
| Heavy Atoms | 16 |
| Complexity | 452.27307 |
Chemical Identifiers
| CAS Number | 19089-73-7 |
|---|---|
| SMILES | C(=C/C(=O)O)\C1=C(C(=C(C(=C1F)F)F)F)F |
Product Overview
2,3,4,5,6-Pentafluorocinnamic acid (CAS 19089-73-7), with molecular formula C9H3F5O2 and molecular weight 238.01 g/mol. IUPAC: (E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoic acid.
Chemical Property Profile of 2,3,4,5,6-Pentafluorocinnamic acid
Property Insights of 2,3,4,5,6-Pentafluorocinnamic acid
The XLogP value of 2.4799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,5,6-Pentafluorocinnamic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2,3,4,5,6-Pentafluorocinnamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5,6-Pentafluorocinnamic 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 2,3,4,5,6-Pentafluorocinnamic acid?
The CAS number of 2,3,4,5,6-Pentafluorocinnamic acid is 19089-73-7.
What is the molecular formula of 2,3,4,5,6-Pentafluorocinnamic acid?
The molecular formula of 2,3,4,5,6-Pentafluorocinnamic acid is C9H3F5O2.
What is the molecular weight of 2,3,4,5,6-Pentafluorocinnamic acid?
The molecular weight of 2,3,4,5,6-Pentafluorocinnamic acid is 238.01 g/mol.
Where can I buy 2,3,4,5,6-Pentafluorocinnamic acid?
You can request a quote for 2,3,4,5,6-Pentafluorocinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5,6-Pentafluorocinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5,6-Pentafluorocinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.