1,2-Diphenyl-4-(2-(phenylthio)ethyl)-3,5-pyrazolidinedione
TL;DR: 1,2-Diphenyl-4-(2-(phenylthio)ethyl)-3,5-pyrazolidinedione (CAS 3736-92-3) is a chemical compound with molecular formula C23H20N2O2S and molecular weight 388.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-diphenyl-4-(2-phenylsulfanylethyl)pyrazolidine-3,5-dione
Also Known As: sulfinpyrazone sulfide, 1,2-Diphenyl-4-(2-(phenylthio)ethyl)pyrazolidine-3,5-dione, Sulfinpyrazone EP Impurity B, GP 25671, Sulfinpyrazone impurity B CRS
| Molecular Formula | C23H20N2O2S |
|---|---|
| Molecular Weight | 388.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 65.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.12454 |
| Heavy Atoms | 28 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 3736-92-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCSC4=CC=CC=C4 |
| InChIKey | PLGXGMUJUXKCDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Diphenyl-4-(2-(phenylthio)ethyl)-3,5-pyrazolidinedione (CAS 3736-92-3), with molecular formula C23H20N2O2S and molecular weight 388.12 g/mol. IUPAC: 1,2-diphenyl-4-(2-phenylsulfanylethyl)pyrazolidine-3,5-dione.
Chemical Property Profile of 1,2-Diphenyl-4-(2-(phenylthio)ethyl)-3,5-pyrazolidinedione
Property Insights of 1,2-Diphenyl-4-(2-(phenylthio)ethyl)-3,5-pyrazolidinedione
The XLogP value of 3.7 indicates that 1,2-Diphenyl-4-(2-(phenylthio)ethyl)-3,5-pyrazolidinedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Diphenyl-4-(2-(phenylthio)ethyl)-3,5-pyrazolidinedione. Following Lipinski's Rule of Five, 1,2-Diphenyl-4-(2-(phenylthio)ethyl)-3,5-pyrazolidinedione has 0 hydrogen bond donor(s) and 3 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 1,2-Diphenyl-4-(2-(phenylthio)ethyl)-3,5-pyrazolidinedione?
The CAS number of 1,2-Diphenyl-4-(2-(phenylthio)ethyl)-3,5-pyrazolidinedione is 3736-92-3.
What is the molecular formula of 1,2-Diphenyl-4-(2-(phenylthio)ethyl)-3,5-pyrazolidinedione?
The molecular formula of 1,2-Diphenyl-4-(2-(phenylthio)ethyl)-3,5-pyrazolidinedione is C23H20N2O2S.
What is the molecular weight of 1,2-Diphenyl-4-(2-(phenylthio)ethyl)-3,5-pyrazolidinedione?
The molecular weight of 1,2-Diphenyl-4-(2-(phenylthio)ethyl)-3,5-pyrazolidinedione is 388.12 g/mol.
Where can I buy 1,2-Diphenyl-4-(2-(phenylthio)ethyl)-3,5-pyrazolidinedione?
You can request a quote for 1,2-Diphenyl-4-(2-(phenylthio)ethyl)-3,5-pyrazolidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Diphenyl-4-(2-(phenylthio)ethyl)-3,5-pyrazolidinedione?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Diphenyl-4-(2-(phenylthio)ethyl)-3,5-pyrazolidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.