![3-[(4-Chloro-6-methylpyrimidin-2-yl)amino]-2-(propylsulfonyl)acrylonitrile structure](/static/products/6496/649664-59-5.webp)
3-[(4-Chloro-6-methylpyrimidin-2-yl)amino]-2-(propylsulfonyl)acrylonitrile
TL;DR: 3-[(4-Chloro-6-methylpyrimidin-2-yl)amino]-2-(propylsulfonyl)acrylonitrile (CAS 649664-59-5) is a chemical compound with molecular formula C11H13ClN4O2S and molecular weight 300.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-propylsulfonylprop-2-enenitrile
Also Known As: 3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-(propylsulfonyl)acrylonitrile, 3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-(propylsulphonyl)acrylonitrile, (E)-3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-propylsulfonylprop-2-enenitrile, 3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-(propane-1-sulfonyl)prop-2-enenitrile
| Molecular Formula | C11H13ClN4O2S |
|---|---|
| Molecular Weight | 300.04 g/mol |
| LogP | 2.0401 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.04477 |
| Heavy Atoms | 19 |
| Complexity | 614.3355 |
Chemical Identifiers
| CAS Number | 649664-59-5 |
|---|---|
| SMILES | CCCS(=O)(=O)/C(=C/NC1=NC(=CC(=N1)Cl)C)/C#N |
Product Overview
3-[(4-Chloro-6-methylpyrimidin-2-yl)amino]-2-(propylsulfonyl)acrylonitrile (CAS 649664-59-5), with molecular formula C11H13ClN4O2S and molecular weight 300.04 g/mol. IUPAC: (E)-3-[(4-chloro-6-methylpyrimidin-2-yl)amino]-2-propylsulfonylprop-2-enenitrile.
Chemical Property Profile of 3-[(4-Chloro-6-methylpyrimidin-2-yl)amino]-2-(propylsulfonyl)acrylonitrile
Property Insights of 3-[(4-Chloro-6-methylpyrimidin-2-yl)amino]-2-(propylsulfonyl)acrylonitrile
The XLogP value of 2.0401 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Chloro-6-methylpyrimidin-2-yl)amino]-2-(propylsulfonyl)acrylonitrile. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Chloro-6-methylpyrimidin-2-yl)amino]-2-(propylsulfonyl)acrylonitrile. Following Lipinski's Rule of Five, 3-[(4-Chloro-6-methylpyrimidin-2-yl)amino]-2-(propylsulfonyl)acrylonitrile 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 3-[(4-Chloro-6-methylpyrimidin-2-yl)amino]-2-(propylsulfonyl)acrylonitrile?
The CAS number of 3-[(4-Chloro-6-methylpyrimidin-2-yl)amino]-2-(propylsulfonyl)acrylonitrile is 649664-59-5.
What is the molecular formula of 3-[(4-Chloro-6-methylpyrimidin-2-yl)amino]-2-(propylsulfonyl)acrylonitrile?
The molecular formula of 3-[(4-Chloro-6-methylpyrimidin-2-yl)amino]-2-(propylsulfonyl)acrylonitrile is C11H13ClN4O2S.
What is the molecular weight of 3-[(4-Chloro-6-methylpyrimidin-2-yl)amino]-2-(propylsulfonyl)acrylonitrile?
The molecular weight of 3-[(4-Chloro-6-methylpyrimidin-2-yl)amino]-2-(propylsulfonyl)acrylonitrile is 300.04 g/mol.
Where can I buy 3-[(4-Chloro-6-methylpyrimidin-2-yl)amino]-2-(propylsulfonyl)acrylonitrile?
You can request a quote for 3-[(4-Chloro-6-methylpyrimidin-2-yl)amino]-2-(propylsulfonyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Chloro-6-methylpyrimidin-2-yl)amino]-2-(propylsulfonyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Chloro-6-methylpyrimidin-2-yl)amino]-2-(propylsulfonyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.