Pyrazolynate
TL;DR: Pyrazolynate (CAS 58011-68-0) is a chemical compound with molecular formula C19H16Cl2N2O4S and molecular weight 438.02078 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(2,4-dichlorobenzoyl)-1,3-dimethylpyrazol-5-yl] 4-methylbenzenesulfonate
Also Known As: Pyrazolynate, Pyrazolynate [ISO], Pyrzolate, Sunbird, SANBIRD
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H16Cl2N2O4S |
| Molecular Weight | 438.02078 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 86.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.02078 Da |
| Heavy Atoms | 28 |
| Complexity | 663.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=NN2C)C)C(=O)C3=C(C=C(C=C3)Cl)Cl |
| InChIKey | ASRAWSBMDXVNLX-UHFFFAOYSA-N |
Chemical Property Profile of Pyrazolynate
Property Insights of Pyrazolynate
The XLogP value of 3.8 indicates that Pyrazolynate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrazolynate. Following Lipinski's Rule of Five, Pyrazolynate 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 Pyrazolynate?
The CAS number of Pyrazolynate is 58011-68-0.
What is the molecular formula of Pyrazolynate?
The molecular formula of Pyrazolynate is C19H16Cl2N2O4S.
What is the molecular weight of Pyrazolynate?
The molecular weight of Pyrazolynate is 438.02078 g/mol.
Where can I buy Pyrazolynate?
You can request a quote for Pyrazolynate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyrazolynate?
Yes, CoreyChem provides custom synthesis services for Pyrazolynate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.