2,3,4-Trifluorocinnamic acid
TL;DR: 2,3,4-Trifluorocinnamic acid (CAS 331776-45-5) is a chemical compound with molecular formula C9H5F3O2 and molecular weight 202.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2,3,4-trifluorophenyl)prop-2-enoic acid
Also Known As: 2,3,4-Trifluorocinnamic acid, 3-(2,3,4-Trifluorophenyl)acrylic acid, 2,3,4-Trifluorocinnamicacid, (2E)-3-(2,3,4-trifluorophenyl)prop-2-enoic acid, (E)-3-(2,3,4-trifluorophenyl)prop-2-enoic acid
| Molecular Formula | C9H5F3O2 |
|---|---|
| Molecular Weight | 202.02 g/mol |
| LogP | 2.2017 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.02417 |
| Heavy Atoms | 14 |
| Complexity | 399.2887 |
Chemical Identifiers
| CAS Number | 331776-45-5 |
|---|---|
| SMILES | C1=CC(=C(C(=C1/C=C/C(=O)O)F)F)F |
Product Overview
2,3,4-Trifluorocinnamic acid (CAS 331776-45-5), with molecular formula C9H5F3O2 and molecular weight 202.02 g/mol. IUPAC: (E)-3-(2,3,4-trifluorophenyl)prop-2-enoic acid.
Chemical Property Profile of 2,3,4-Trifluorocinnamic acid
Property Insights of 2,3,4-Trifluorocinnamic acid
The XLogP value of 2.2017 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4-Trifluorocinnamic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2,3,4-Trifluorocinnamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4-Trifluorocinnamic 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-Trifluorocinnamic acid?
The CAS number of 2,3,4-Trifluorocinnamic acid is 331776-45-5.
What is the molecular formula of 2,3,4-Trifluorocinnamic acid?
The molecular formula of 2,3,4-Trifluorocinnamic acid is C9H5F3O2.
What is the molecular weight of 2,3,4-Trifluorocinnamic acid?
The molecular weight of 2,3,4-Trifluorocinnamic acid is 202.02 g/mol.
Where can I buy 2,3,4-Trifluorocinnamic acid?
You can request a quote for 2,3,4-Trifluorocinnamic 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-Trifluorocinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4-Trifluorocinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.