![3-{[4-(trifluoromethyl)anilino]methylene}-2-benzofuran-1(3H)-one structure](/static/products/3389/338976-17-3.webp)
3-{[4-(trifluoromethyl)anilino]methylene}-2-benzofuran-1(3H)-one
TL;DR: 3-{[4-(trifluoromethyl)anilino]methylene}-2-benzofuran-1(3H)-one (CAS 338976-17-3) is a chemical compound with molecular formula C16H10F3NO2 and molecular weight 305.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(trifluoromethyl)phenyl]iminomethyl]-2-benzofuran-1-ol
Also Known As: 9D-001, 3-{[4-(trifluoromethyl)anilino]methylene}-2-benzofuran-1(3H)-one, (3Z)-3-({[4-(trifluoromethyl)phenyl]amino}methylidene)-1,3-dihydro-2-benzofuran-1-one, 3-[[4-(trifluoromethyl)phenyl]iminomethyl]-2-benzofuran-1-ol, 3-[[4-(trifluoromethyl)anilino]methylidene]-2-benzofuran-1-one
| Molecular Formula | C16H10F3NO2 |
|---|---|
| Molecular Weight | 305.07 g/mol |
| LogP | 4.9078 |
| Topological Polar Surface Area | 45.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.06638 |
| Heavy Atoms | 22 |
| Complexity | 832.7134 |
Chemical Identifiers
| CAS Number | 338976-17-3 |
|---|---|
| SMILES | C1=CC2=C(OC(=C2C=C1)O)C=NC3=CC=C(C=C3)C(F)(F)F |
Product Overview
3-{[4-(trifluoromethyl)anilino]methylene}-2-benzofuran-1(3H)-one (CAS 338976-17-3), with molecular formula C16H10F3NO2 and molecular weight 305.07 g/mol. IUPAC: 3-[[4-(trifluoromethyl)phenyl]iminomethyl]-2-benzofuran-1-ol.
Chemical Property Profile of 3-{[4-(trifluoromethyl)anilino]methylene}-2-benzofuran-1(3H)-one
Property Insights of 3-{[4-(trifluoromethyl)anilino]methylene}-2-benzofuran-1(3H)-one
The XLogP value of 4.9078 indicates that 3-{[4-(trifluoromethyl)anilino]methylene}-2-benzofuran-1(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.73 Ų, 3-{[4-(trifluoromethyl)anilino]methylene}-2-benzofuran-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[4-(trifluoromethyl)anilino]methylene}-2-benzofuran-1(3H)-one 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 3-{[4-(trifluoromethyl)anilino]methylene}-2-benzofuran-1(3H)-one?
The CAS number of 3-{[4-(trifluoromethyl)anilino]methylene}-2-benzofuran-1(3H)-one is 338976-17-3.
What is the molecular formula of 3-{[4-(trifluoromethyl)anilino]methylene}-2-benzofuran-1(3H)-one?
The molecular formula of 3-{[4-(trifluoromethyl)anilino]methylene}-2-benzofuran-1(3H)-one is C16H10F3NO2.
What is the molecular weight of 3-{[4-(trifluoromethyl)anilino]methylene}-2-benzofuran-1(3H)-one?
The molecular weight of 3-{[4-(trifluoromethyl)anilino]methylene}-2-benzofuran-1(3H)-one is 305.07 g/mol.
Where can I buy 3-{[4-(trifluoromethyl)anilino]methylene}-2-benzofuran-1(3H)-one?
You can request a quote for 3-{[4-(trifluoromethyl)anilino]methylene}-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-{[4-(trifluoromethyl)anilino]methylene}-2-benzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{[4-(trifluoromethyl)anilino]methylene}-2-benzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.