![alpha-[2-Nitro-4-trifluoromethylphenyl]-4-bromocinnamic acid structure](/static/products/3548/35485-71-3.webp)
alpha-[2-Nitro-4-trifluoromethylphenyl]-4-bromocinnamic acid
TL;DR: alpha-[2-Nitro-4-trifluoromethylphenyl]-4-bromocinnamic acid (CAS 35485-71-3) is a chemical compound with molecular formula C16H9BrF3NO4 and molecular weight 414.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(4-bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid
Also Known As: .alpha.-[2-Nitro-4-trifluoromethylphenyl]-4-bromocinnamic acid, 3-(4-bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid, alpha-[2-Nitro-4-trifluoromethylphenyl]-4-bromocinnamic acid, (2Z)-3-(4-Bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]-2-propenoic acid #, (Z)-3-(4-bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid
| Molecular Formula | C16H9BrF3NO4 |
|---|---|
| Molecular Weight | 414.97 g/mol |
| LogP | 5.0013 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.9667 |
| Heavy Atoms | 25 |
| Complexity | 860.6738 |
Chemical Identifiers
| CAS Number | 35485-71-3 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C(/C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])\C(=O)O)Br |
Product Overview
alpha-[2-Nitro-4-trifluoromethylphenyl]-4-bromocinnamic acid (CAS 35485-71-3), with molecular formula C16H9BrF3NO4 and molecular weight 414.97 g/mol. IUPAC: (Z)-3-(4-bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid.
Chemical Property Profile of alpha-[2-Nitro-4-trifluoromethylphenyl]-4-bromocinnamic acid
Property Insights of alpha-[2-Nitro-4-trifluoromethylphenyl]-4-bromocinnamic acid
The XLogP value of 5.0013 indicates that alpha-[2-Nitro-4-trifluoromethylphenyl]-4-bromocinnamic 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-[2-Nitro-4-trifluoromethylphenyl]-4-bromocinnamic acid. Following Lipinski's Rule of Five, alpha-[2-Nitro-4-trifluoromethylphenyl]-4-bromocinnamic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of alpha-[2-Nitro-4-trifluoromethylphenyl]-4-bromocinnamic acid?
The CAS number of alpha-[2-Nitro-4-trifluoromethylphenyl]-4-bromocinnamic acid is 35485-71-3.
What is the molecular formula of alpha-[2-Nitro-4-trifluoromethylphenyl]-4-bromocinnamic acid?
The molecular formula of alpha-[2-Nitro-4-trifluoromethylphenyl]-4-bromocinnamic acid is C16H9BrF3NO4.
What is the molecular weight of alpha-[2-Nitro-4-trifluoromethylphenyl]-4-bromocinnamic acid?
The molecular weight of alpha-[2-Nitro-4-trifluoromethylphenyl]-4-bromocinnamic acid is 414.97 g/mol.
Where can I buy alpha-[2-Nitro-4-trifluoromethylphenyl]-4-bromocinnamic acid?
You can request a quote for alpha-[2-Nitro-4-trifluoromethylphenyl]-4-bromocinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-[2-Nitro-4-trifluoromethylphenyl]-4-bromocinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for alpha-[2-Nitro-4-trifluoromethylphenyl]-4-bromocinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.