![2-(4-Nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile structure](/static/products/560/560995-62-2.png)
2-(4-Nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
TL;DR: 2-(4-Nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile (CAS 560995-62-2) is a chemical compound with molecular formula C16H9F3N2O2 and molecular weight 318.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
Also Known As: 2-(4-NITROPHENYL)-3-(3-TRIFLUOROMETHYLPHENYL)ACRYLONITRILE, 2-(4-nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
| Molecular Formula | C16H9F3N2O2 |
|---|---|
| Molecular Weight | 318.06 g/mol |
| LogP | 4.67778 |
| Topological Polar Surface Area | 66.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.0616 |
| Heavy Atoms | 23 |
| Complexity | 803.3104 |
Chemical Identifiers
| CAS Number | 560995-62-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C=C(C#N)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-(4-Nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile (CAS 560995-62-2), with molecular formula C16H9F3N2O2 and molecular weight 318.06 g/mol. IUPAC: 2-(4-nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile.
Chemical Property Profile of 2-(4-Nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
Property Insights of 2-(4-Nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
The XLogP value of 4.67778 indicates that 2-(4-Nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(4-Nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile has 0 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 2-(4-Nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile?
The CAS number of 2-(4-Nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile is 560995-62-2.
What is the molecular formula of 2-(4-Nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile?
The molecular formula of 2-(4-Nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile is C16H9F3N2O2.
What is the molecular weight of 2-(4-Nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile?
The molecular weight of 2-(4-Nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile is 318.06 g/mol.
Where can I buy 2-(4-Nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile?
You can request a quote for 2-(4-Nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.