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 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C16H14N2O3S |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 3.1315 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.0725 |
| Heavy Atoms | 22 |
| Complexity | 833.2097 |
Chemical Identifiers
| CAS Number | 1025568-98-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=C(NC2=CC=CC=C2)O)C#N |
Product Overview
3-Hydroxy-2-((4-methylphenyl)sulfonyl)-3-(phenylamino)prop-2-enenitrile (CAS 1025568-98-2), with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol. IUPAC: 3-anilino-3-hydroxy-2-(4-methylphenyl)sulfonylprop-2-enenitrile.
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 3.1315 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 90.19 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
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 314.07 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-2-((4-methylphenyl)sulfonyl)-3-(phenylamino)prop-2-enenitrile?
Yes, KEHONG BIO 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.