![3-(4-methylsulfonylphenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-prop-2-enenitrile structure](/static/products/1025/1025577-54-1.webp)
3-(4-methylsulfonylphenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-prop-2-enenitrile
TL;DR: 3-(4-methylsulfonylphenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-prop-2-enenitrile (CAS 1025577-54-1) is a chemical compound with molecular formula C17H12F3NO5S2 and molecular weight 431.0109 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methylsulfonylphenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonylprop-2-enenitrile
Also Known As: 3-(4-methylsulfonylphenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-prop-2-enenitrile, 3-(4-(METHYLSULFONYL)PHENYL)-2-((4-(TRIFLUOROMETHOXY)PHENYL)SULFONYL)PROP-2-ENENITRILE, (E)-3-[4-(methylsulfonyl)phenyl]-2-{[4-(trifluoromethoxy)phenyl]sulfonyl}-2-propenenitrile, 3-(4-methylsulfonylphenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonylprop-2-enenitrile, C17H12F3NO5S2
Technical Specifications
| Molecular Formula | C17H12F3NO5S2 |
| Molecular Weight | 431.0109 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.0109 Da |
| Heavy Atoms | 28 |
| Complexity | 828.0 |
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F |
| InChIKey | SFBVWXRCKQGIRK-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-methylsulfonylphenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-prop-2-enenitrile
Property Insights of 3-(4-methylsulfonylphenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-prop-2-enenitrile
The XLogP value of 3.5 indicates that 3-(4-methylsulfonylphenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-methylsulfonylphenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-prop-2-enenitrile. Following Lipinski's Rule of Five, 3-(4-methylsulfonylphenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-prop-2-enenitrile has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(4-methylsulfonylphenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-prop-2-enenitrile?
The CAS number of 3-(4-methylsulfonylphenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-prop-2-enenitrile is 1025577-54-1.
What is the molecular formula of 3-(4-methylsulfonylphenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-prop-2-enenitrile?
The molecular formula of 3-(4-methylsulfonylphenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-prop-2-enenitrile is C17H12F3NO5S2.
What is the molecular weight of 3-(4-methylsulfonylphenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-prop-2-enenitrile?
The molecular weight of 3-(4-methylsulfonylphenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-prop-2-enenitrile is 431.0109 g/mol.
Where can I buy 3-(4-methylsulfonylphenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-prop-2-enenitrile?
You can request a quote for 3-(4-methylsulfonylphenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-methylsulfonylphenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 3-(4-methylsulfonylphenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.