3-(4-Tert-butylphenyl)sulfonylprop-2-enenitrile
TL;DR: 3-(4-Tert-butylphenyl)sulfonylprop-2-enenitrile (CAS 196309-76-9) is a chemical compound with molecular formula C13H15NO2S and molecular weight 249.08235 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-tert-butylphenyl)sulfonylprop-2-enenitrile
Also Known As: bay 11-7085, Lopac0_000183, (E)-3-(4-tert-butylphenylsulfonyl)acrylonitrile, 3-(4-tert-butylphenyl)sulfonylprop-2-enenitrile, (E)-3-(4-tert-butylphenyl)sulfonylprop-2-enenitrile
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H15NO2S |
| Molecular Weight | 249.08235 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 66.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.08235 Da |
| Heavy Atoms | 17 |
| Complexity | 420.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C=CC#N |
| InChIKey | VHKZGNPOHPFPER-UHFFFAOYSA-N |
Product Description
Applications: 3-(4-Tert-butylphenyl)sulfonylprop-2-enenitrile is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-(4-Tert-butylphenyl)sulfonylprop-2-enenitrile (CAS 196309-76-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, 3-(4-Tert-butylphenyl)sulfonylprop-2-enenitrile (CAS 196309-76-9) has the molecular formula C13H15NO2S and a molecular weight of 249.08 g/mol. It is also known as bay 11-7085 and Lopac0_000183.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-(4-Tert-butylphenyl)sulfonylprop-2-enenitrile
Property Insights of 3-(4-Tert-butylphenyl)sulfonylprop-2-enenitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Tert-butylphenyl)sulfonylprop-2-enenitrile. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Tert-butylphenyl)sulfonylprop-2-enenitrile. Following Lipinski's Rule of Five, 3-(4-Tert-butylphenyl)sulfonylprop-2-enenitrile has 0 hydrogen bond donor(s) and 3 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-Tert-butylphenyl)sulfonylprop-2-enenitrile?
The CAS number of 3-(4-Tert-butylphenyl)sulfonylprop-2-enenitrile is 196309-76-9.
What is the molecular formula of 3-(4-Tert-butylphenyl)sulfonylprop-2-enenitrile?
The molecular formula of 3-(4-Tert-butylphenyl)sulfonylprop-2-enenitrile is C13H15NO2S.
What is the molecular weight of 3-(4-Tert-butylphenyl)sulfonylprop-2-enenitrile?
The molecular weight of 3-(4-Tert-butylphenyl)sulfonylprop-2-enenitrile is 249.08235 g/mol.
What are the applications of 3-(4-Tert-butylphenyl)sulfonylprop-2-enenitrile?
3-(4-Tert-butylphenyl)sulfonylprop-2-enenitrile is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 3-(4-Tert-butylphenyl)sulfonylprop-2-enenitrile?
You can request a quote for 3-(4-Tert-butylphenyl)sulfonylprop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Tert-butylphenyl)sulfonylprop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 3-(4-Tert-butylphenyl)sulfonylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.