![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 431.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C17H12F3NO5S2 |
|---|---|
| Molecular Weight | 431.01 g/mol |
| LogP | 3.32708 |
| Topological Polar Surface Area | 101.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.0109 |
| Heavy Atoms | 28 |
| Complexity | 1143.2589 |
Chemical Identifiers
| CAS Number | 1025577-54-1 |
|---|---|
| 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 |
Product Overview
3-(4-methylsulfonylphenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-prop-2-enenitrile (CAS 1025577-54-1), with molecular formula C17H12F3NO5S2 and molecular weight 431.01 g/mol. IUPAC: 3-(4-methylsulfonylphenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonylprop-2-enenitrile.
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 3.32708 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 101.3 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 6 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-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 431.01 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-methylsulfonylphenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-prop-2-enenitrile?
Yes, KEHONG BIO 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.