trans-3,5-Bis(trifluoromethyl)cinnamic acid
TL;DR: trans-3,5-Bis(trifluoromethyl)cinnamic acid (CAS 503179-72-4) is a chemical compound with molecular formula C11H6F6O2 and molecular weight 284.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enoic acid
Also Known As: 3,5-Bis(trifluoromethyl)cinnamic acid, 3-(3,5-Bis(trifluoromethyl)phenyl)acrylic acid, trans-3,5-Bis(trifluoromethyl)cinnamic acid, 3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enoic Acid, 3,5-bis(Trifluoromethyl)cinnamicacid
| Molecular Formula | C11H6F6O2 |
|---|---|
| Molecular Weight | 284.03 g/mol |
| LogP | 3.822 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.0272 |
| Heavy Atoms | 19 |
| Complexity | 480.6472 |
Chemical Identifiers
| CAS Number | 503179-72-4 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)/C=C/C(=O)O |
Product Overview
trans-3,5-Bis(trifluoromethyl)cinnamic acid (CAS 503179-72-4), with molecular formula C11H6F6O2 and molecular weight 284.03 g/mol. IUPAC: (E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enoic acid.
Chemical Property Profile of trans-3,5-Bis(trifluoromethyl)cinnamic acid
Property Insights of trans-3,5-Bis(trifluoromethyl)cinnamic acid
The XLogP value of 3.822 indicates that trans-3,5-Bis(trifluoromethyl)cinnamic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, trans-3,5-Bis(trifluoromethyl)cinnamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-3,5-Bis(trifluoromethyl)cinnamic 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 trans-3,5-Bis(trifluoromethyl)cinnamic acid?
The CAS number of trans-3,5-Bis(trifluoromethyl)cinnamic acid is 503179-72-4.
What is the molecular formula of trans-3,5-Bis(trifluoromethyl)cinnamic acid?
The molecular formula of trans-3,5-Bis(trifluoromethyl)cinnamic acid is C11H6F6O2.
What is the molecular weight of trans-3,5-Bis(trifluoromethyl)cinnamic acid?
The molecular weight of trans-3,5-Bis(trifluoromethyl)cinnamic acid is 284.03 g/mol.
Where can I buy trans-3,5-Bis(trifluoromethyl)cinnamic acid?
You can request a quote for trans-3,5-Bis(trifluoromethyl)cinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-3,5-Bis(trifluoromethyl)cinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for trans-3,5-Bis(trifluoromethyl)cinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.