4,4'-Bis(1-phenyl-3-methyl-5-pyrazolone)
TL;DR: 4,4'-Bis(1-phenyl-3-methyl-5-pyrazolone) (CAS 7477-67-0) is a chemical compound with molecular formula C20H18N4O2 and molecular weight 346.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-phenyl-4H-pyrazol-3-one
Also Known As: Bispyrazolone, Bispyrazolon, Edaravone Dimer, Edaravone Impurity 5, Edaravone Impurity IV
| Molecular Formula | C20H18N4O2 |
|---|---|
| Molecular Weight | 346.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 65.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.14297 |
| Heavy Atoms | 26 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 7477-67-0 |
|---|---|
| SMILES | CC1=NN(C(=O)C1C2C(=NN(C2=O)C3=CC=CC=C3)C)C4=CC=CC=C4 |
| InChIKey | FORCWSNQDMPPOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Bis(1-phenyl-3-methyl-5-pyrazolone) (CAS 7477-67-0), with molecular formula C20H18N4O2 and molecular weight 346.14 g/mol. IUPAC: 5-methyl-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-phenyl-4H-pyrazol-3-one.
Chemical Property Profile of 4,4'-Bis(1-phenyl-3-methyl-5-pyrazolone)
Property Insights of 4,4'-Bis(1-phenyl-3-methyl-5-pyrazolone)
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-Bis(1-phenyl-3-methyl-5-pyrazolone). The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Bis(1-phenyl-3-methyl-5-pyrazolone). Following Lipinski's Rule of Five, 4,4'-Bis(1-phenyl-3-methyl-5-pyrazolone) 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 4,4'-Bis(1-phenyl-3-methyl-5-pyrazolone)?
The CAS number of 4,4'-Bis(1-phenyl-3-methyl-5-pyrazolone) is 7477-67-0.
What is the molecular formula of 4,4'-Bis(1-phenyl-3-methyl-5-pyrazolone)?
The molecular formula of 4,4'-Bis(1-phenyl-3-methyl-5-pyrazolone) is C20H18N4O2.
What is the molecular weight of 4,4'-Bis(1-phenyl-3-methyl-5-pyrazolone)?
The molecular weight of 4,4'-Bis(1-phenyl-3-methyl-5-pyrazolone) is 346.14 g/mol.
Where can I buy 4,4'-Bis(1-phenyl-3-methyl-5-pyrazolone)?
You can request a quote for 4,4'-Bis(1-phenyl-3-methyl-5-pyrazolone) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Bis(1-phenyl-3-methyl-5-pyrazolone)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Bis(1-phenyl-3-methyl-5-pyrazolone) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.