2-Tert-butylsulfonyl-3-(4-hydroxyphenyl)prop-2-enenitrile
TL;DR: 2-Tert-butylsulfonyl-3-(4-hydroxyphenyl)prop-2-enenitrile (CAS 1025704-84-0) is a chemical compound with molecular formula C13H15NO3S and molecular weight 265.07727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-tert-butylsulfonyl-3-(4-hydroxyphenyl)prop-2-enenitrile
Also Known As: 2-tert-butylsulfonyl-3-(4-hydroxyphenyl)prop-2-enenitrile, 3-(4-hydroxyphenyl)-2-(2-methylpropane-2-sulfonyl)prop-2-enenitrile, (Z)-2-(tert-butylsulfonyl)-3-(4-hydroxyphenyl)-2-propenenitrile, 2-((TERT-BUTYL)SULFONYL)-3-(4-HYDROXYPHENYL)PROP-2-ENENITRILE, 3-(4-hydroxyphenyl)-2-tert-butylsulfonyl-prop-2-enenitrile
Technical Specifications
| Molecular Formula | C13H15NO3S |
| Molecular Weight | 265.07727 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 86.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.07727 Da |
| Heavy Atoms | 18 |
| Complexity | 463.0 |
| SMILES | CC(C)(C)S(=O)(=O)C(=CC1=CC=C(C=C1)O)C#N |
| InChIKey | OHOYYUBWGANOQD-UHFFFAOYSA-N |
Chemical Property Profile of 2-Tert-butylsulfonyl-3-(4-hydroxyphenyl)prop-2-enenitrile
Property Insights of 2-Tert-butylsulfonyl-3-(4-hydroxyphenyl)prop-2-enenitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Tert-butylsulfonyl-3-(4-hydroxyphenyl)prop-2-enenitrile. The TPSA of 86.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Tert-butylsulfonyl-3-(4-hydroxyphenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-Tert-butylsulfonyl-3-(4-hydroxyphenyl)prop-2-enenitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Tert-butylsulfonyl-3-(4-hydroxyphenyl)prop-2-enenitrile?
The CAS number of 2-Tert-butylsulfonyl-3-(4-hydroxyphenyl)prop-2-enenitrile is 1025704-84-0.
What is the molecular formula of 2-Tert-butylsulfonyl-3-(4-hydroxyphenyl)prop-2-enenitrile?
The molecular formula of 2-Tert-butylsulfonyl-3-(4-hydroxyphenyl)prop-2-enenitrile is C13H15NO3S.
What is the molecular weight of 2-Tert-butylsulfonyl-3-(4-hydroxyphenyl)prop-2-enenitrile?
The molecular weight of 2-Tert-butylsulfonyl-3-(4-hydroxyphenyl)prop-2-enenitrile is 265.07727 g/mol.
Where can I buy 2-Tert-butylsulfonyl-3-(4-hydroxyphenyl)prop-2-enenitrile?
You can request a quote for 2-Tert-butylsulfonyl-3-(4-hydroxyphenyl)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Tert-butylsulfonyl-3-(4-hydroxyphenyl)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 2-Tert-butylsulfonyl-3-(4-hydroxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.