(4E)-2-benzyl-4-(4-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
TL;DR: (4E)-2-benzyl-4-(4-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one (CAS 1164531-59-2) is a chemical compound with molecular formula C19H18N2O2 and molecular weight 306.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-2-benzyl-4-[(4-methoxyphenyl)methylidene]-5-methylpyrazol-3-one
Also Known As: (4E)-2-benzyl-4-[(4-methoxyphenyl)methylidene]-5-methylpyrazol-3-one, (E)-1-benzyl-4-(4-methoxybenzylidene)-3-methyl-1H-pyrazol-5(4H)-one, (4E)-2-benzyl-4-(4-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one, 2-Benzyl-4-[1-(4-methoxy-phenyl)-meth-(E)-ylidene]-5-methyl-2,4-dihydro-pyrazol-3-one
| Molecular Formula | C19H18N2O2 |
|---|---|
| Molecular Weight | 306.14 g/mol |
| LogP | 3.4969 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.13684 |
| Heavy Atoms | 23 |
| Complexity | 761.71643 |
Chemical Identifiers
| CAS Number | 1164531-59-2 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)OC)CC3=CC=CC=C3 |
Product Overview
(4E)-2-benzyl-4-(4-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one (CAS 1164531-59-2), with molecular formula C19H18N2O2 and molecular weight 306.14 g/mol. IUPAC: (4E)-2-benzyl-4-[(4-methoxyphenyl)methylidene]-5-methylpyrazol-3-one.
Chemical Property Profile of (4E)-2-benzyl-4-(4-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Property Insights of (4E)-2-benzyl-4-(4-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 3.4969 indicates that (4E)-2-benzyl-4-(4-methoxybenzylidene)-5-methyl-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 41.9 Ų, (4E)-2-benzyl-4-(4-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4E)-2-benzyl-4-(4-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one 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 (4E)-2-benzyl-4-(4-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of (4E)-2-benzyl-4-(4-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one is 1164531-59-2.
What is the molecular formula of (4E)-2-benzyl-4-(4-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of (4E)-2-benzyl-4-(4-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one is C19H18N2O2.
What is the molecular weight of (4E)-2-benzyl-4-(4-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of (4E)-2-benzyl-4-(4-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one is 306.14 g/mol.
Where can I buy (4E)-2-benzyl-4-(4-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for (4E)-2-benzyl-4-(4-methoxybenzylidene)-5-methyl-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 (4E)-2-benzyl-4-(4-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-2-benzyl-4-(4-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.