5-Methyl-4-(4-methylbenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 5-Methyl-4-(4-methylbenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one (CAS 53316-56-6) is a chemical compound with molecular formula C18H16N2O and molecular weight 276.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-methyl-4-[(4-methylphenyl)methylidene]-2-phenylpyrazol-3-one
Also Known As: BAS 00296550, 5-METHYL-4-(4-METHYLBENZYLIDENE)-2-PHENYL-2,4-DIHYDRO-3H-PYRAZOL-3-ONE, 3-Methyl-4-(4-methylbenzylidene)-1-phenyl-1H-pyrazol-5(4H)-one, (4E)-5-methyl-4-[(4-methylphenyl)methylidene]-2-phenylpyrazol-3-one, 1-Phenyl-3-methyl-4-(4-methylbenzylidene)-2-pyrazoline-5-one
| Molecular Formula | C18H16N2O |
|---|---|
| Molecular Weight | 276.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.12625 |
| Heavy Atoms | 21 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 53316-56-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C |
| InChIKey | XBBJQEYIOGWMNL-SFQUDFHCSA-N |
Product Overview
5-Methyl-4-(4-methylbenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one (CAS 53316-56-6), with molecular formula C18H16N2O and molecular weight 276.13 g/mol. IUPAC: (4E)-5-methyl-4-[(4-methylphenyl)methylidene]-2-phenylpyrazol-3-one.
Chemical Property Profile of 5-Methyl-4-(4-methylbenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 5-Methyl-4-(4-methylbenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 3.8 indicates that 5-Methyl-4-(4-methylbenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 5-Methyl-4-(4-methylbenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-4-(4-methylbenzylidene)-2-phenyl-2,4-dihydro-3H-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-Methyl-4-(4-methylbenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 5-Methyl-4-(4-methylbenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one is 53316-56-6.
What is the molecular formula of 5-Methyl-4-(4-methylbenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 5-Methyl-4-(4-methylbenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one is C18H16N2O.
What is the molecular weight of 5-Methyl-4-(4-methylbenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 5-Methyl-4-(4-methylbenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one is 276.13 g/mol.
Where can I buy 5-Methyl-4-(4-methylbenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 5-Methyl-4-(4-methylbenzylidene)-2-phenyl-2,4-dihydro-3H-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-Methyl-4-(4-methylbenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-4-(4-methylbenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.