![1-(3-Phenyl-5-isoxazolyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-1-ethanone structure](/static/products/4780/478066-86-3.webp)
1-(3-Phenyl-5-isoxazolyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-1-ethanone
TL;DR: 1-(3-Phenyl-5-isoxazolyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-1-ethanone (CAS 478066-86-3) is a chemical compound with molecular formula C19H14F3NO2S and molecular weight 377.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-phenyl-1,2-oxazol-5-yl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethanone
Also Known As: Bionet1_003930, DivK1c_002426, 1-(3-phenyl-5-isoxazolyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-1-ethanone, CDS1_001386, 7M-550S
| Molecular Formula | C19H14F3NO2S |
|---|---|
| Molecular Weight | 377.07 g/mol |
| LogP | 5.4765 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 377.06973 |
| Heavy Atoms | 26 |
| Complexity | 891.0548 |
Chemical Identifiers
| CAS Number | 478066-86-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NOC(=C2)C(=O)CSCC3=CC(=CC=C3)C(F)(F)F |
Product Overview
1-(3-Phenyl-5-isoxazolyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-1-ethanone (CAS 478066-86-3), with molecular formula C19H14F3NO2S and molecular weight 377.07 g/mol. IUPAC: 1-(3-phenyl-1,2-oxazol-5-yl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethanone.
Chemical Property Profile of 1-(3-Phenyl-5-isoxazolyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-1-ethanone
Property Insights of 1-(3-Phenyl-5-isoxazolyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-1-ethanone
The XLogP value of 5.4765 indicates that 1-(3-Phenyl-5-isoxazolyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-1-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, 1-(3-Phenyl-5-isoxazolyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-1-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Phenyl-5-isoxazolyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-1-ethanone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3-Phenyl-5-isoxazolyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-1-ethanone?
The CAS number of 1-(3-Phenyl-5-isoxazolyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-1-ethanone is 478066-86-3.
What is the molecular formula of 1-(3-Phenyl-5-isoxazolyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-1-ethanone?
The molecular formula of 1-(3-Phenyl-5-isoxazolyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-1-ethanone is C19H14F3NO2S.
What is the molecular weight of 1-(3-Phenyl-5-isoxazolyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-1-ethanone?
The molecular weight of 1-(3-Phenyl-5-isoxazolyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-1-ethanone is 377.07 g/mol.
Where can I buy 1-(3-Phenyl-5-isoxazolyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-1-ethanone?
You can request a quote for 1-(3-Phenyl-5-isoxazolyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Phenyl-5-isoxazolyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Phenyl-5-isoxazolyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.