C21H20N4O3S
TL;DR: C21H20N4O3S (CAS 1025517-81-0) is a chemical compound with molecular formula C21H20N4O3S and molecular weight 408.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-(4-methylphenyl)sulfonylprop-2-enenitrile
Also Known As: 3-((2,3-DIMETHYL-5-OXO-1-PHENYL(3-PYRAZOLIN-4-YL))AMINO)-2-((4-METHYLPHENYL)SULFONYL)PROP-2-ENENITRILE, 3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-(p-tolylsulfonyl)prop-2-enenitrile, 3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile, 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-(4-methylphenyl)sulfonylprop-2-enenitrile, C21H20N4O3S
Technical Specifications
| Molecular Formula | C21H20N4O3S |
| Molecular Weight | 408.1256 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.1256 Da |
| Heavy Atoms | 29 |
| Complexity | 848.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=CNC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C#N |
| InChIKey | PSDGMKQPTSEXRY-UHFFFAOYSA-N |
Chemical Property Profile of C21H20N4O3S
Property Insights of C21H20N4O3S
The XLogP value of 4.0 indicates that C21H20N4O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H20N4O3S. Following Lipinski's Rule of Five, C21H20N4O3S 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
What is the CAS number of C21H20N4O3S?
The CAS number of C21H20N4O3S is 1025517-81-0.
What is the molecular formula of C21H20N4O3S?
The molecular formula of C21H20N4O3S is C21H20N4O3S.
What is the molecular weight of C21H20N4O3S?
The molecular weight of C21H20N4O3S is 408.1256 g/mol.
Where can I buy C21H20N4O3S?
You can request a quote for C21H20N4O3S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C21H20N4O3S?
Yes, CoreyChem provides custom synthesis services for C21H20N4O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.