4-((4-Chlorophenyl)(hydroxy)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
TL;DR: 4-((4-Chlorophenyl)(hydroxy)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one (CAS 146271-26-3) is a chemical compound with molecular formula C17H13ClN2O2 and molecular weight 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorobenzoyl)-5-methyl-2-phenyl-1H-pyrazol-3-one
Also Known As: ChemDiv1_024085, 4-((4-Chlorophenyl)(hydroxy)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one, 4-(4-chlorobenzoyl)-5-methyl-2-phenyl-1H-pyrazol-3-one, (4-chlorophenyl)(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methanone, (4-chlorophenyl)-(5-hydroxy-3-methyl-1-phenyl-pyrazol-4-yl)methanone
| Molecular Formula | C17H13ClN2O2 |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.06656 |
| Heavy Atoms | 22 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 146271-26-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl |
| InChIKey | BSNYIJBRSZUYFC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-((4-Chlorophenyl)(hydroxy)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one (CAS 146271-26-3), with molecular formula C17H13ClN2O2 and molecular weight 312.07 g/mol. IUPAC: 4-(4-chlorobenzoyl)-5-methyl-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of 4-((4-Chlorophenyl)(hydroxy)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
Property Insights of 4-((4-Chlorophenyl)(hydroxy)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
The XLogP value of 4.0 indicates that 4-((4-Chlorophenyl)(hydroxy)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.4 Ų, 4-((4-Chlorophenyl)(hydroxy)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((4-Chlorophenyl)(hydroxy)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one has 1 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 4-((4-Chlorophenyl)(hydroxy)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one?
The CAS number of 4-((4-Chlorophenyl)(hydroxy)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one is 146271-26-3.
What is the molecular formula of 4-((4-Chlorophenyl)(hydroxy)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one?
The molecular formula of 4-((4-Chlorophenyl)(hydroxy)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one is C17H13ClN2O2.
What is the molecular weight of 4-((4-Chlorophenyl)(hydroxy)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one?
The molecular weight of 4-((4-Chlorophenyl)(hydroxy)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one is 312.07 g/mol.
Where can I buy 4-((4-Chlorophenyl)(hydroxy)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one?
You can request a quote for 4-((4-Chlorophenyl)(hydroxy)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-Chlorophenyl)(hydroxy)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Chlorophenyl)(hydroxy)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.