![3-{[3-(trifluoromethyl)anilino]methylene}-2-benzothiophen-1(3H)-one structure](/static/products/3389/338954-41-9.webp)
3-{[3-(trifluoromethyl)anilino]methylene}-2-benzothiophen-1(3H)-one
TL;DR: 3-{[3-(trifluoromethyl)anilino]methylene}-2-benzothiophen-1(3H)-one (CAS 338954-41-9) is a chemical compound with molecular formula C16H10F3NOS and molecular weight 321.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-(trifluoromethyl)phenyl]iminomethyl]-2-benzothiophen-1-ol
Also Known As: 5J-015, 3-{[3-(trifluoromethyl)anilino]methylene}-2-benzothiophen-1(3H)-one, 3-[[3-(trifluoromethyl)phenyl]iminomethyl]-2-benzothiophen-1-ol, (3Z)-3-({[3-(trifluoromethyl)phenyl]amino}methylidene)-1,3-dihydro-2-benzothiophen-1-one, 3-[[3-(trifluoromethyl)anilino]methylidene]-2-benzothiophen-1-one
| Molecular Formula | C16H10F3NOS |
|---|---|
| Molecular Weight | 321.04 g/mol |
| LogP | 5.3763 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.04352 |
| Heavy Atoms | 22 |
| Complexity | 851.9634 |
Chemical Identifiers
| CAS Number | 338954-41-9 |
|---|---|
| SMILES | C1=CC2=C(SC(=C2C=C1)O)C=NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
3-{[3-(trifluoromethyl)anilino]methylene}-2-benzothiophen-1(3H)-one (CAS 338954-41-9), with molecular formula C16H10F3NOS and molecular weight 321.04 g/mol. IUPAC: 3-[[3-(trifluoromethyl)phenyl]iminomethyl]-2-benzothiophen-1-ol.
Chemical Property Profile of 3-{[3-(trifluoromethyl)anilino]methylene}-2-benzothiophen-1(3H)-one
Property Insights of 3-{[3-(trifluoromethyl)anilino]methylene}-2-benzothiophen-1(3H)-one
The XLogP value of 5.3763 indicates that 3-{[3-(trifluoromethyl)anilino]methylene}-2-benzothiophen-1(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.59 Ų, 3-{[3-(trifluoromethyl)anilino]methylene}-2-benzothiophen-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[3-(trifluoromethyl)anilino]methylene}-2-benzothiophen-1(3H)-one 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 3-{[3-(trifluoromethyl)anilino]methylene}-2-benzothiophen-1(3H)-one?
The CAS number of 3-{[3-(trifluoromethyl)anilino]methylene}-2-benzothiophen-1(3H)-one is 338954-41-9.
What is the molecular formula of 3-{[3-(trifluoromethyl)anilino]methylene}-2-benzothiophen-1(3H)-one?
The molecular formula of 3-{[3-(trifluoromethyl)anilino]methylene}-2-benzothiophen-1(3H)-one is C16H10F3NOS.
What is the molecular weight of 3-{[3-(trifluoromethyl)anilino]methylene}-2-benzothiophen-1(3H)-one?
The molecular weight of 3-{[3-(trifluoromethyl)anilino]methylene}-2-benzothiophen-1(3H)-one is 321.04 g/mol.
Where can I buy 3-{[3-(trifluoromethyl)anilino]methylene}-2-benzothiophen-1(3H)-one?
You can request a quote for 3-{[3-(trifluoromethyl)anilino]methylene}-2-benzothiophen-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-{[3-(trifluoromethyl)anilino]methylene}-2-benzothiophen-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{[3-(trifluoromethyl)anilino]methylene}-2-benzothiophen-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.