![3-(4-Bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid structure](/static/products/3531/35318-47-9.webp)
3-(4-Bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid
TL;DR: 3-(4-Bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid (CAS 35318-47-9) 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.
3-(4-bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid
Also Known As: 3-(4-bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-, 3-(4-bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid, Benzeneacetic acid, a-[(4-bromophenyl)methylene]-2-nitro-4-(trifluoromethyl)-
| Molecular Formula | C16H9BrF3NO4 |
|---|---|
| Molecular Weight | 414.97 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.9667 |
| Heavy Atoms | 25 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 35318-47-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C(C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)O)Br |
| InChIKey | BPSSBULAPGLOHN-UHFFFAOYSA-N |
Product Overview
3-(4-Bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid (CAS 35318-47-9), with molecular formula C16H9BrF3NO4 and molecular weight 414.97 g/mol. IUPAC: 3-(4-bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid.
Chemical Property Profile of 3-(4-Bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid
Property Insights of 3-(4-Bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid
The XLogP value of 4.9 indicates that 3-(4-Bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid. Following Lipinski's Rule of Five, 3-(4-Bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid has 1 hydrogen bond donor(s) and 7 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 3-(4-Bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid?
The CAS number of 3-(4-Bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid is 35318-47-9.
What is the molecular formula of 3-(4-Bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid?
The molecular formula of 3-(4-Bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid is C16H9BrF3NO4.
What is the molecular weight of 3-(4-Bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid?
The molecular weight of 3-(4-Bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid is 414.97 g/mol.
Where can I buy 3-(4-Bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid?
You can request a quote for 3-(4-Bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.