3-((4-Methylphenyl)sulfonyl)-1-phenyl-2-pyrazolin-4-one
TL;DR: 3-((4-Methylphenyl)sulfonyl)-1-phenyl-2-pyrazolin-4-one (CAS 1023537-32-7) is a chemical compound with molecular formula C16H14N2O3S and molecular weight 314.0725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-methylphenyl)sulfonyl-2-phenyl-3H-pyrazol-4-one
Also Known As: 5-(4-methylphenyl)sulfonyl-2-phenyl-3H-pyrazol-4-one, 3-((4-METHYLPHENYL)SULFONYL)-1-PHENYL-2-PYRAZOLIN-4-ONE, 2-phenyl-5-(p-tolylsulfonyl)-3H-pyrazol-4-one, 3-(4-methylphenyl)sulfonyl-1-phenyl-5H-pyrazol-4-one
Technical Specifications
| Molecular Formula | C16H14N2O3S |
| Molecular Weight | 314.0725 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 75.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.0725 Da |
| Heavy Atoms | 22 |
| Complexity | 550.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=NN(CC2=O)C3=CC=CC=C3 |
| InChIKey | VEXJLOAZGSDDCZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-((4-Methylphenyl)sulfonyl)-1-phenyl-2-pyrazolin-4-one
Property Insights of 3-((4-Methylphenyl)sulfonyl)-1-phenyl-2-pyrazolin-4-one
The XLogP value of 3.1 indicates that 3-((4-Methylphenyl)sulfonyl)-1-phenyl-2-pyrazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-Methylphenyl)sulfonyl)-1-phenyl-2-pyrazolin-4-one. Following Lipinski's Rule of Five, 3-((4-Methylphenyl)sulfonyl)-1-phenyl-2-pyrazolin-4-one 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
What is the CAS number of 3-((4-Methylphenyl)sulfonyl)-1-phenyl-2-pyrazolin-4-one?
The CAS number of 3-((4-Methylphenyl)sulfonyl)-1-phenyl-2-pyrazolin-4-one is 1023537-32-7.
What is the molecular formula of 3-((4-Methylphenyl)sulfonyl)-1-phenyl-2-pyrazolin-4-one?
The molecular formula of 3-((4-Methylphenyl)sulfonyl)-1-phenyl-2-pyrazolin-4-one is C16H14N2O3S.
What is the molecular weight of 3-((4-Methylphenyl)sulfonyl)-1-phenyl-2-pyrazolin-4-one?
The molecular weight of 3-((4-Methylphenyl)sulfonyl)-1-phenyl-2-pyrazolin-4-one is 314.0725 g/mol.
Where can I buy 3-((4-Methylphenyl)sulfonyl)-1-phenyl-2-pyrazolin-4-one?
You can request a quote for 3-((4-Methylphenyl)sulfonyl)-1-phenyl-2-pyrazolin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-((4-Methylphenyl)sulfonyl)-1-phenyl-2-pyrazolin-4-one?
Yes, CoreyChem provides custom synthesis services for 3-((4-Methylphenyl)sulfonyl)-1-phenyl-2-pyrazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.