![(E)-3-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-propenoic acid structure](/static/products/866/866154-72-5.png)
(E)-3-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-propenoic acid
TL;DR: (E)-3-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-propenoic acid (CAS 866154-72-5) is a chemical compound with molecular formula C16H10F3NO5 and molecular weight 353.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]prop-2-enoic acid
Also Known As: (E)-3-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-propenoic acid, 3-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]prop-2-enoic Acid, (E)-3-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]prop-2-enoic acid
| Molecular Formula | C16H10F3NO5 |
|---|---|
| Molecular Weight | 353.05 g/mol |
| LogP | 4.5037 |
| Topological Polar Surface Area | 89.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.05112 |
| Heavy Atoms | 25 |
| Complexity | 845.9041 |
Chemical Identifiers
| CAS Number | 866154-72-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C=CC(=O)O |
Product Overview
(E)-3-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-propenoic acid (CAS 866154-72-5), with molecular formula C16H10F3NO5 and molecular weight 353.05 g/mol. IUPAC: 3-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]prop-2-enoic acid.
Chemical Property Profile of (E)-3-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-propenoic acid
Property Insights of (E)-3-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-propenoic acid
The XLogP value of 4.5037 indicates that (E)-3-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-propenoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.67 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-propenoic acid. Following Lipinski's Rule of Five, (E)-3-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-propenoic acid has 1 hydrogen bond donor(s) and 4 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 (E)-3-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-propenoic acid?
The CAS number of (E)-3-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-propenoic acid is 866154-72-5.
What is the molecular formula of (E)-3-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-propenoic acid?
The molecular formula of (E)-3-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-propenoic acid is C16H10F3NO5.
What is the molecular weight of (E)-3-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-propenoic acid?
The molecular weight of (E)-3-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-propenoic acid is 353.05 g/mol.
Where can I buy (E)-3-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-propenoic acid?
You can request a quote for (E)-3-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-propenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-propenoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.