4-(2,3-dibromo-5-ethoxy-4-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 4-(2,3-dibromo-5-ethoxy-4-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one (CAS 353476-31-0) is a chemical compound with molecular formula C20H18Br2N2O3 and molecular weight 491.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
Also Known As: 4-(2,3-dibromo-5-ethoxy-4-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, (4E)-4-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one, 4-[(2,3-DIBROMO-5-ETHOXY-4-METHOXYPHENYL)METHYLENE]-5-METHYL-2-PHENYL-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
| Molecular Formula | C20H18Br2N2O3 |
|---|---|
| Molecular Weight | 491.97 g/mol |
| LogP | 5.425 |
| Topological Polar Surface Area | 51.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.9684 |
| Heavy Atoms | 27 |
| Complexity | 939.98816 |
Chemical Identifiers
| CAS Number | 353476-31-0 |
|---|---|
| SMILES | CCOC1=C(C(=C(C(=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)Br)Br)OC |
Product Overview
4-(2,3-dibromo-5-ethoxy-4-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one (CAS 353476-31-0), with molecular formula C20H18Br2N2O3 and molecular weight 491.97 g/mol. IUPAC: (4E)-4-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-(2,3-dibromo-5-ethoxy-4-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 4-(2,3-dibromo-5-ethoxy-4-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 5.425 indicates that 4-(2,3-dibromo-5-ethoxy-4-methoxybenzylidene)-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 51.13 Ų, 4-(2,3-dibromo-5-ethoxy-4-methoxybenzylidene)-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, 4-(2,3-dibromo-5-ethoxy-4-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2,3-dibromo-5-ethoxy-4-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 4-(2,3-dibromo-5-ethoxy-4-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one is 353476-31-0.
What is the molecular formula of 4-(2,3-dibromo-5-ethoxy-4-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-(2,3-dibromo-5-ethoxy-4-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one is C20H18Br2N2O3.
What is the molecular weight of 4-(2,3-dibromo-5-ethoxy-4-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-(2,3-dibromo-5-ethoxy-4-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one is 491.97 g/mol.
Where can I buy 4-(2,3-dibromo-5-ethoxy-4-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-(2,3-dibromo-5-ethoxy-4-methoxybenzylidene)-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 4-(2,3-dibromo-5-ethoxy-4-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,3-dibromo-5-ethoxy-4-methoxybenzylidene)-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.