5-phenyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one
TL;DR: 5-phenyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one (CAS 58376-72-0) is a chemical compound with molecular formula C15H9Cl3N2O and molecular weight 337.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one
Also Known As: J2.789.889K, 5-phenyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one, 3-phenyl-1-(2,4,6-trichlorophenyl)-2-pyrazolin-5-one, 1-(2,4,6-Trichlorophenyl)-3-phenyl-2-pyrazoline-5-one, 3-phenyl-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-5-one
| Molecular Formula | C15H9Cl3N2O |
|---|---|
| Molecular Weight | 337.98 g/mol |
| LogP | 4.7878 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.97806 |
| Heavy Atoms | 21 |
| Complexity | 720.834 |
Chemical Identifiers
| CAS Number | 58376-72-0 |
|---|---|
| SMILES | C1C(=NN(C1=O)C2=C(C=C(C=C2Cl)Cl)Cl)C3=CC=CC=C3 |
Product Overview
5-phenyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one (CAS 58376-72-0), with molecular formula C15H9Cl3N2O and molecular weight 337.98 g/mol. IUPAC: 5-phenyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one.
Chemical Property Profile of 5-phenyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one
Property Insights of 5-phenyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one
The XLogP value of 4.7878 indicates that 5-phenyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.67 Ų, 5-phenyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-phenyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one has 0 hydrogen bond donor(s) and 2 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 5-phenyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one?
The CAS number of 5-phenyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one is 58376-72-0.
What is the molecular formula of 5-phenyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one?
The molecular formula of 5-phenyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one is C15H9Cl3N2O.
What is the molecular weight of 5-phenyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one?
The molecular weight of 5-phenyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one is 337.98 g/mol.
Where can I buy 5-phenyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one?
You can request a quote for 5-phenyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-phenyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-phenyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.