![(4E)-4-{5-bromo-2-[(2-methylprop-2-en-1-yl)oxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/496/496040-74-5.png)
(4E)-4-{5-bromo-2-[(2-methylprop-2-en-1-yl)oxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
TL;DR: (4E)-4-{5-bromo-2-[(2-methylprop-2-en-1-yl)oxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one (CAS 496040-74-5) is a chemical compound with molecular formula C21H19BrN2O2 and molecular weight 410.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[[5-bromo-2-(2-methylprop-2-enoxy)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one
Also Known As: (4E)-4-{5-bromo-2-[(2-methylprop-2-en-1-yl)oxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, (E)-4-(5-bromo-2-((2-methylallyl)oxy)benzylidene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one, (4E)-4-[[5-bromo-2-(2-methylprop-2-enoxy)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one, 4-{[5-bromo-2-(2-methylprop-2-enyloxy)phenyl]methylene}-3-methyl-1-phenyl-1,2- diazolin-5-one
| Molecular Formula | C21H19BrN2O2 |
|---|---|
| Molecular Weight | 410.06 g/mol |
| LogP | 5.2101 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.063 |
| Heavy Atoms | 26 |
| Complexity | 916.8632 |
Chemical Identifiers
| CAS Number | 496040-74-5 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C/C2=C(C=CC(=C2)Br)OCC(=C)C)C3=CC=CC=C3 |
Product Overview
(4E)-4-{5-bromo-2-[(2-methylprop-2-en-1-yl)oxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one (CAS 496040-74-5), with molecular formula C21H19BrN2O2 and molecular weight 410.06 g/mol. IUPAC: (4E)-4-[[5-bromo-2-(2-methylprop-2-enoxy)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one.
Chemical Property Profile of (4E)-4-{5-bromo-2-[(2-methylprop-2-en-1-yl)oxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Property Insights of (4E)-4-{5-bromo-2-[(2-methylprop-2-en-1-yl)oxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 5.2101 indicates that (4E)-4-{5-bromo-2-[(2-methylprop-2-en-1-yl)oxy]benzylidene}-5-methyl-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 41.9 Ų, (4E)-4-{5-bromo-2-[(2-methylprop-2-en-1-yl)oxy]benzylidene}-5-methyl-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, (4E)-4-{5-bromo-2-[(2-methylprop-2-en-1-yl)oxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4E)-4-{5-bromo-2-[(2-methylprop-2-en-1-yl)oxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of (4E)-4-{5-bromo-2-[(2-methylprop-2-en-1-yl)oxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one is 496040-74-5.
What is the molecular formula of (4E)-4-{5-bromo-2-[(2-methylprop-2-en-1-yl)oxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of (4E)-4-{5-bromo-2-[(2-methylprop-2-en-1-yl)oxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one is C21H19BrN2O2.
What is the molecular weight of (4E)-4-{5-bromo-2-[(2-methylprop-2-en-1-yl)oxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of (4E)-4-{5-bromo-2-[(2-methylprop-2-en-1-yl)oxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one is 410.06 g/mol.
Where can I buy (4E)-4-{5-bromo-2-[(2-methylprop-2-en-1-yl)oxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for (4E)-4-{5-bromo-2-[(2-methylprop-2-en-1-yl)oxy]benzylidene}-5-methyl-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 (4E)-4-{5-bromo-2-[(2-methylprop-2-en-1-yl)oxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-{5-bromo-2-[(2-methylprop-2-en-1-yl)oxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.