![3-[[3-(trifluoromethyl)phenyl]methoxyiminomethyl]-3H-2-benzothiophen-1-one structure](/static/products/3391/339114-80-6.webp)
3-[[3-(trifluoromethyl)phenyl]methoxyiminomethyl]-3H-2-benzothiophen-1-one
TL;DR: 3-[[3-(trifluoromethyl)phenyl]methoxyiminomethyl]-3H-2-benzothiophen-1-one (CAS 339114-80-6) is a chemical compound with molecular formula C17H12F3NO2S and molecular weight 351.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-(trifluoromethyl)phenyl]methoxyiminomethyl]-3H-2-benzothiophen-1-one
Also Known As: 3-[[3-(trifluoromethyl)phenyl]methoxyiminomethyl]-3H-2-benzothiophen-1-one, 3-oxo-1,3-dihydro-2-benzothiophene-1-carbaldehyde O-[3-(trifluoromethyl)benzyl]oxime, 9-[[3-(trifluoromethyl)phenyl]methoxyiminomethyl]-8-thiabicyclo[4.3.0]nona-1,3,5-trien-7-one
| Molecular Formula | C17H12F3NO2S |
|---|---|
| Molecular Weight | 351.05 g/mol |
| LogP | 4.8361 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.05408 |
| Heavy Atoms | 24 |
| Complexity | 789.40027 |
Chemical Identifiers
| CAS Number | 339114-80-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(SC2=O)C=NOCC3=CC(=CC=C3)C(F)(F)F |
Product Overview
3-[[3-(trifluoromethyl)phenyl]methoxyiminomethyl]-3H-2-benzothiophen-1-one (CAS 339114-80-6), with molecular formula C17H12F3NO2S and molecular weight 351.05 g/mol. IUPAC: 3-[[3-(trifluoromethyl)phenyl]methoxyiminomethyl]-3H-2-benzothiophen-1-one.
Chemical Property Profile of 3-[[3-(trifluoromethyl)phenyl]methoxyiminomethyl]-3H-2-benzothiophen-1-one
Property Insights of 3-[[3-(trifluoromethyl)phenyl]methoxyiminomethyl]-3H-2-benzothiophen-1-one
The XLogP value of 4.8361 indicates that 3-[[3-(trifluoromethyl)phenyl]methoxyiminomethyl]-3H-2-benzothiophen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.66 Ų, 3-[[3-(trifluoromethyl)phenyl]methoxyiminomethyl]-3H-2-benzothiophen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[[3-(trifluoromethyl)phenyl]methoxyiminomethyl]-3H-2-benzothiophen-1-one has 0 hydrogen bond donor(s) and 4 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-[[3-(trifluoromethyl)phenyl]methoxyiminomethyl]-3H-2-benzothiophen-1-one?
The CAS number of 3-[[3-(trifluoromethyl)phenyl]methoxyiminomethyl]-3H-2-benzothiophen-1-one is 339114-80-6.
What is the molecular formula of 3-[[3-(trifluoromethyl)phenyl]methoxyiminomethyl]-3H-2-benzothiophen-1-one?
The molecular formula of 3-[[3-(trifluoromethyl)phenyl]methoxyiminomethyl]-3H-2-benzothiophen-1-one is C17H12F3NO2S.
What is the molecular weight of 3-[[3-(trifluoromethyl)phenyl]methoxyiminomethyl]-3H-2-benzothiophen-1-one?
The molecular weight of 3-[[3-(trifluoromethyl)phenyl]methoxyiminomethyl]-3H-2-benzothiophen-1-one is 351.05 g/mol.
Where can I buy 3-[[3-(trifluoromethyl)phenyl]methoxyiminomethyl]-3H-2-benzothiophen-1-one?
You can request a quote for 3-[[3-(trifluoromethyl)phenyl]methoxyiminomethyl]-3H-2-benzothiophen-1-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)phenyl]methoxyiminomethyl]-3H-2-benzothiophen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[[3-(trifluoromethyl)phenyl]methoxyiminomethyl]-3H-2-benzothiophen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.