![alpha-[O-Nitro-p-trifluoromethylphenyl]-p-chlorocinnamic acid structure](/static/products/3548/35485-95-1.webp)
alpha-[O-Nitro-p-trifluoromethylphenyl]-p-chlorocinnamic acid
TL;DR: alpha-[O-Nitro-p-trifluoromethylphenyl]-p-chlorocinnamic acid (CAS 35485-95-1) is a chemical compound with molecular formula C16H9ClF3NO4 and molecular weight 371.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(4-chlorophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid
Also Known As: .alpha.-[O-Nitro-p-trifluoromethylphenyl]-p-chlorocinnamic acid, 3-(4-chlorophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid, (2Z)-3-(4-Chlorophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]-2-propenoic acid #, (Z)-3-(4-chlorophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid
| Molecular Formula | C16H9ClF3NO4 |
|---|---|
| Molecular Weight | 371.02 g/mol |
| LogP | 4.8922 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.0172 |
| Heavy Atoms | 25 |
| Complexity | 860.6738 |
Chemical Identifiers
| CAS Number | 35485-95-1 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C(/C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])\C(=O)O)Cl |
Product Overview
alpha-[O-Nitro-p-trifluoromethylphenyl]-p-chlorocinnamic acid (CAS 35485-95-1), with molecular formula C16H9ClF3NO4 and molecular weight 371.02 g/mol. IUPAC: (Z)-3-(4-chlorophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid.
Chemical Property Profile of alpha-[O-Nitro-p-trifluoromethylphenyl]-p-chlorocinnamic acid
Property Insights of alpha-[O-Nitro-p-trifluoromethylphenyl]-p-chlorocinnamic acid
The XLogP value of 4.8922 indicates that alpha-[O-Nitro-p-trifluoromethylphenyl]-p-chlorocinnamic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-[O-Nitro-p-trifluoromethylphenyl]-p-chlorocinnamic acid. Following Lipinski's Rule of Five, alpha-[O-Nitro-p-trifluoromethylphenyl]-p-chlorocinnamic acid has 1 hydrogen bond donor(s) and 3 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 alpha-[O-Nitro-p-trifluoromethylphenyl]-p-chlorocinnamic acid?
The CAS number of alpha-[O-Nitro-p-trifluoromethylphenyl]-p-chlorocinnamic acid is 35485-95-1.
What is the molecular formula of alpha-[O-Nitro-p-trifluoromethylphenyl]-p-chlorocinnamic acid?
The molecular formula of alpha-[O-Nitro-p-trifluoromethylphenyl]-p-chlorocinnamic acid is C16H9ClF3NO4.
What is the molecular weight of alpha-[O-Nitro-p-trifluoromethylphenyl]-p-chlorocinnamic acid?
The molecular weight of alpha-[O-Nitro-p-trifluoromethylphenyl]-p-chlorocinnamic acid is 371.02 g/mol.
Where can I buy alpha-[O-Nitro-p-trifluoromethylphenyl]-p-chlorocinnamic acid?
You can request a quote for alpha-[O-Nitro-p-trifluoromethylphenyl]-p-chlorocinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-[O-Nitro-p-trifluoromethylphenyl]-p-chlorocinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for alpha-[O-Nitro-p-trifluoromethylphenyl]-p-chlorocinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.