(E)-3-(4-(2-cyano-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl)-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide
TL;DR: (E)-3-(4-(2-cyano-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl)-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide (CAS 849913-79-7) is a chemical compound with molecular formula C26H27N5O3S and molecular weight 489.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(E)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]-1-phenylpyrazol-3-yl]-N,N-dimethylbenzenesulfonamide
Also Known As: (E)-3-(4-(2-cyano-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl)-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide, 3-[4-[(E)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]-1-phenylpyrazol-3-yl]-N,N-dimethylbenzenesulfonamide, 3-{4-[(1E)-2-cyano-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-1-phenyl-1H-pyrazol-3-yl}-N,N-dimethylbenzenesulfonamide
| Molecular Formula | C26H27N5O3S |
|---|---|
| Molecular Weight | 489.18 g/mol |
| LogP | 3.70908 |
| Topological Polar Surface Area | 99.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.18347 |
| Heavy Atoms | 35 |
| Complexity | 1396.239 |
Chemical Identifiers
| CAS Number | 849913-79-7 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)N3CCCCC3)C4=CC=CC=C4 |
Product Overview
(E)-3-(4-(2-cyano-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl)-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide (CAS 849913-79-7), with molecular formula C26H27N5O3S and molecular weight 489.18 g/mol. IUPAC: 3-[4-[(E)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]-1-phenylpyrazol-3-yl]-N,N-dimethylbenzenesulfonamide.
Chemical Property Profile of (E)-3-(4-(2-cyano-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl)-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide
Property Insights of (E)-3-(4-(2-cyano-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl)-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide
The XLogP value of 3.70908 indicates that (E)-3-(4-(2-cyano-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl)-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(4-(2-cyano-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl)-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide. Following Lipinski's Rule of Five, (E)-3-(4-(2-cyano-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl)-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide has 0 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 (E)-3-(4-(2-cyano-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl)-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide?
The CAS number of (E)-3-(4-(2-cyano-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl)-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide is 849913-79-7.
What is the molecular formula of (E)-3-(4-(2-cyano-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl)-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide?
The molecular formula of (E)-3-(4-(2-cyano-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl)-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide is C26H27N5O3S.
What is the molecular weight of (E)-3-(4-(2-cyano-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl)-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide?
The molecular weight of (E)-3-(4-(2-cyano-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl)-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide is 489.18 g/mol.
Where can I buy (E)-3-(4-(2-cyano-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl)-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide?
You can request a quote for (E)-3-(4-(2-cyano-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl)-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(4-(2-cyano-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl)-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-(2-cyano-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl)-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.