![3-{1-nitro-2-[4-(trifluoromethoxy)anilino]vinyl}-2-benzofuran-1(3H)-one structure](/static/products/3204/320420-40-4.webp)
3-{1-nitro-2-[4-(trifluoromethoxy)anilino]vinyl}-2-benzofuran-1(3H)-one
TL;DR: 3-{1-nitro-2-[4-(trifluoromethoxy)anilino]vinyl}-2-benzofuran-1(3H)-one (CAS 320420-40-4) is a chemical compound with molecular formula C17H11F3N2O5 and molecular weight 380.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-nitro-2-[4-(trifluoromethoxy)anilino]ethenyl]-3H-2-benzofuran-1-one
Also Known As: 3-{1-nitro-2-[4-(trifluoromethoxy)anilino]vinyl}-2-benzofuran-1(3H)-one, 3-[1-nitro-2-[4-(trifluoromethoxy)anilino]ethenyl]-3H-2-benzofuran-1-one
| Molecular Formula | C17H11F3N2O5 |
|---|---|
| Molecular Weight | 380.06 g/mol |
| LogP | 4.0269 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.062 |
| Heavy Atoms | 27 |
| Complexity | 909.53 |
Chemical Identifiers
| CAS Number | 320420-40-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OC2=O)C(=CNC3=CC=C(C=C3)OC(F)(F)F)[N+](=O)[O-] |
Product Overview
3-{1-nitro-2-[4-(trifluoromethoxy)anilino]vinyl}-2-benzofuran-1(3H)-one (CAS 320420-40-4), with molecular formula C17H11F3N2O5 and molecular weight 380.06 g/mol. IUPAC: 3-[1-nitro-2-[4-(trifluoromethoxy)anilino]ethenyl]-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-{1-nitro-2-[4-(trifluoromethoxy)anilino]vinyl}-2-benzofuran-1(3H)-one
Property Insights of 3-{1-nitro-2-[4-(trifluoromethoxy)anilino]vinyl}-2-benzofuran-1(3H)-one
The XLogP value of 4.0269 indicates that 3-{1-nitro-2-[4-(trifluoromethoxy)anilino]vinyl}-2-benzofuran-1(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{1-nitro-2-[4-(trifluoromethoxy)anilino]vinyl}-2-benzofuran-1(3H)-one. Following Lipinski's Rule of Five, 3-{1-nitro-2-[4-(trifluoromethoxy)anilino]vinyl}-2-benzofuran-1(3H)-one has 1 hydrogen bond donor(s) and 6 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-{1-nitro-2-[4-(trifluoromethoxy)anilino]vinyl}-2-benzofuran-1(3H)-one?
The CAS number of 3-{1-nitro-2-[4-(trifluoromethoxy)anilino]vinyl}-2-benzofuran-1(3H)-one is 320420-40-4.
What is the molecular formula of 3-{1-nitro-2-[4-(trifluoromethoxy)anilino]vinyl}-2-benzofuran-1(3H)-one?
The molecular formula of 3-{1-nitro-2-[4-(trifluoromethoxy)anilino]vinyl}-2-benzofuran-1(3H)-one is C17H11F3N2O5.
What is the molecular weight of 3-{1-nitro-2-[4-(trifluoromethoxy)anilino]vinyl}-2-benzofuran-1(3H)-one?
The molecular weight of 3-{1-nitro-2-[4-(trifluoromethoxy)anilino]vinyl}-2-benzofuran-1(3H)-one is 380.06 g/mol.
Where can I buy 3-{1-nitro-2-[4-(trifluoromethoxy)anilino]vinyl}-2-benzofuran-1(3H)-one?
You can request a quote for 3-{1-nitro-2-[4-(trifluoromethoxy)anilino]vinyl}-2-benzofuran-1(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{1-nitro-2-[4-(trifluoromethoxy)anilino]vinyl}-2-benzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{1-nitro-2-[4-(trifluoromethoxy)anilino]vinyl}-2-benzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.