Sulfinpyrazone
TL;DR: Sulfinpyrazone (CAS 57-96-5) is a chemical compound with molecular formula C23H20N2O3S and molecular weight 404.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(benzenesulfinyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dione
Also Known As: sulfinpyrazone, Sulphinpyrazone, Anturane, Anturan, Diphenylpyrazone
| Molecular Formula | C23H20N2O3S |
|---|---|
| Molecular Weight | 404.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.11948 |
| Heavy Atoms | 29 |
| Complexity | 571.0 |
| Melting Point | 136-137 °C |
| Solubility | 31.2 |
Chemical Identifiers
| CAS Number | 57-96-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCS(=O)C4=CC=CC=C4 |
| InChIKey | MBGGBVCUIVRRBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sulfinpyrazone (CAS 57-96-5), with molecular formula C23H20N2O3S and molecular weight 404.12 g/mol. IUPAC: 4-[2-(benzenesulfinyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dione.
Chemical Property Profile of Sulfinpyrazone
Property Insights of Sulfinpyrazone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfinpyrazone. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulfinpyrazone. Following Lipinski's Rule of Five, Sulfinpyrazone has 0 hydrogen bond donor(s) and 4 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 Sulfinpyrazone?
The CAS number of Sulfinpyrazone is 57-96-5.
What is the molecular formula of Sulfinpyrazone?
The molecular formula of Sulfinpyrazone is C23H20N2O3S.
What is the molecular weight of Sulfinpyrazone?
The molecular weight of Sulfinpyrazone is 404.12 g/mol.
Where can I buy Sulfinpyrazone?
You can request a quote for Sulfinpyrazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfinpyrazone?
Yes, KEHONG BIO provides custom synthesis services for Sulfinpyrazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.