3-Hydroxy-2-((4-methylphenyl)sulfonyl)-3-(phenylamino)prop-2-enenitrile
TL;DR: 3-Hydroxy-2-((4-methylphenyl)sulfonyl)-3-(phenylamino)prop-2-enenitrile (CAS 1025568-98-2) is a chemical compound with molecular formula C16H14N2O3S and molecular weight 314.0725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-anilino-3-hydroxy-2-(4-methylphenyl)sulfonylprop-2-enenitrile
Also Known As: 3-anilino-3-hydroxy-2-(p-tolylsulfonyl)prop-2-enenitrile, 3-anilino-3-hydroxy-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile, 3-anilino-3-hydroxy-2-(4-methylphenyl)sulfonylprop-2-enenitrile, 3-HYDROXY-2-((4-METHYLPHENYL)SULFONYL)-3-(PHENYLAMINO)PROP-2-ENENITRILE, (Z)-3-anilino-3-hydroxy-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile
Technical Specifications
| Molecular Formula | C16H14N2O3S |
| Molecular Weight | 314.0725 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 98.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.0725 Da |
| Heavy Atoms | 22 |
| Complexity | 554.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=C(NC2=CC=CC=C2)O)C#N |
| InChIKey | PBQZHHUHHNCEDE-UHFFFAOYSA-N |
Chemical Property Profile of 3-Hydroxy-2-((4-methylphenyl)sulfonyl)-3-(phenylamino)prop-2-enenitrile
Property Insights of 3-Hydroxy-2-((4-methylphenyl)sulfonyl)-3-(phenylamino)prop-2-enenitrile
The XLogP value of 3.5 indicates that 3-Hydroxy-2-((4-methylphenyl)sulfonyl)-3-(phenylamino)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-2-((4-methylphenyl)sulfonyl)-3-(phenylamino)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-Hydroxy-2-((4-methylphenyl)sulfonyl)-3-(phenylamino)prop-2-enenitrile has 2 hydrogen bond donor(s) and 5 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-Hydroxy-2-((4-methylphenyl)sulfonyl)-3-(phenylamino)prop-2-enenitrile?
The CAS number of 3-Hydroxy-2-((4-methylphenyl)sulfonyl)-3-(phenylamino)prop-2-enenitrile is 1025568-98-2.
What is the molecular formula of 3-Hydroxy-2-((4-methylphenyl)sulfonyl)-3-(phenylamino)prop-2-enenitrile?
The molecular formula of 3-Hydroxy-2-((4-methylphenyl)sulfonyl)-3-(phenylamino)prop-2-enenitrile is C16H14N2O3S.
What is the molecular weight of 3-Hydroxy-2-((4-methylphenyl)sulfonyl)-3-(phenylamino)prop-2-enenitrile?
The molecular weight of 3-Hydroxy-2-((4-methylphenyl)sulfonyl)-3-(phenylamino)prop-2-enenitrile is 314.0725 g/mol.
Where can I buy 3-Hydroxy-2-((4-methylphenyl)sulfonyl)-3-(phenylamino)prop-2-enenitrile?
You can request a quote for 3-Hydroxy-2-((4-methylphenyl)sulfonyl)-3-(phenylamino)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Hydroxy-2-((4-methylphenyl)sulfonyl)-3-(phenylamino)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 3-Hydroxy-2-((4-methylphenyl)sulfonyl)-3-(phenylamino)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.