2-((4-Methylphenyl)sulfonyl)-3-(pyrimidin-2-ylamino)prop-2-enenitrile
TL;DR: 2-((4-Methylphenyl)sulfonyl)-3-(pyrimidin-2-ylamino)prop-2-enenitrile (CAS 1025124-03-1) is a chemical compound with molecular formula C14H12N4O2S and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfonyl-3-(pyrimidin-2-ylamino)prop-2-enenitrile
Also Known As: 2-((4-METHYLPHENYL)SULFONYL)-3-(PYRIMIDIN-2-YLAMINO)PROP-2-ENENITRILE, 2-(4-methylphenyl)sulfonyl-3-(pyrimidin-2-ylamino)prop-2-enenitrile, 2-(p-tolylsulfonyl)-3-(pyrimidin-2-ylamino)prop-2-enenitrile, (2Z)-2-(4-methylbenzenesulfonyl)-3-[(pyrimidin-2-yl)amino]prop-2-enenitrile
| Molecular Formula | C14H12N4O2S |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 2.0358 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.06808 |
| Heavy Atoms | 21 |
| Complexity | 791.1177 |
Chemical Identifiers
| CAS Number | 1025124-03-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=CNC2=NC=CC=N2)C#N |
Product Overview
2-((4-Methylphenyl)sulfonyl)-3-(pyrimidin-2-ylamino)prop-2-enenitrile (CAS 1025124-03-1), with molecular formula C14H12N4O2S and molecular weight 300.07 g/mol. IUPAC: 2-(4-methylphenyl)sulfonyl-3-(pyrimidin-2-ylamino)prop-2-enenitrile.
Chemical Property Profile of 2-((4-Methylphenyl)sulfonyl)-3-(pyrimidin-2-ylamino)prop-2-enenitrile
Property Insights of 2-((4-Methylphenyl)sulfonyl)-3-(pyrimidin-2-ylamino)prop-2-enenitrile
The XLogP value of 2.0358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Methylphenyl)sulfonyl)-3-(pyrimidin-2-ylamino)prop-2-enenitrile. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Methylphenyl)sulfonyl)-3-(pyrimidin-2-ylamino)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-((4-Methylphenyl)sulfonyl)-3-(pyrimidin-2-ylamino)prop-2-enenitrile has 1 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 2-((4-Methylphenyl)sulfonyl)-3-(pyrimidin-2-ylamino)prop-2-enenitrile?
The CAS number of 2-((4-Methylphenyl)sulfonyl)-3-(pyrimidin-2-ylamino)prop-2-enenitrile is 1025124-03-1.
What is the molecular formula of 2-((4-Methylphenyl)sulfonyl)-3-(pyrimidin-2-ylamino)prop-2-enenitrile?
The molecular formula of 2-((4-Methylphenyl)sulfonyl)-3-(pyrimidin-2-ylamino)prop-2-enenitrile is C14H12N4O2S.
What is the molecular weight of 2-((4-Methylphenyl)sulfonyl)-3-(pyrimidin-2-ylamino)prop-2-enenitrile?
The molecular weight of 2-((4-Methylphenyl)sulfonyl)-3-(pyrimidin-2-ylamino)prop-2-enenitrile is 300.07 g/mol.
Where can I buy 2-((4-Methylphenyl)sulfonyl)-3-(pyrimidin-2-ylamino)prop-2-enenitrile?
You can request a quote for 2-((4-Methylphenyl)sulfonyl)-3-(pyrimidin-2-ylamino)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 2-((4-Methylphenyl)sulfonyl)-3-(pyrimidin-2-ylamino)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Methylphenyl)sulfonyl)-3-(pyrimidin-2-ylamino)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.