![4-(5-bromo-2,4-dimethoxybenzylidene)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/314/314279-86-2.png)
4-(5-bromo-2,4-dimethoxybenzylidene)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 4-(5-bromo-2,4-dimethoxybenzylidene)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 314279-86-2) is a chemical compound with molecular formula C28H21BrN4O5S and molecular weight 604.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-[(5-bromo-2,4-dimethoxyphenyl)methylidene]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)pyrazol-3-one
Also Known As: 4-(5-bromo-2,4-dimethoxybenzylidene)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one, (4Z)-4-(5-bromo-2,4-dimethoxybenzylidene)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one, (4Z)-4-[(5-bromo-2,4-dimethoxyphenyl)methylidene]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)pyrazol-3-one
| Molecular Formula | C28H21BrN4O5S |
|---|---|
| Molecular Weight | 604.04 g/mol |
| LogP | 6.64092 |
| Topological Polar Surface Area | 107.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 604.0416 |
| Heavy Atoms | 39 |
| Complexity | 1645.6764 |
Chemical Identifiers
| CAS Number | 314279-86-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)/C(=C\C4=CC(=C(C=C4OC)OC)Br)/C(=N3)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
4-(5-bromo-2,4-dimethoxybenzylidene)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 314279-86-2), with molecular formula C28H21BrN4O5S and molecular weight 604.04 g/mol. IUPAC: (4Z)-4-[(5-bromo-2,4-dimethoxyphenyl)methylidene]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)pyrazol-3-one.
Chemical Property Profile of 4-(5-bromo-2,4-dimethoxybenzylidene)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 4-(5-bromo-2,4-dimethoxybenzylidene)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 6.64092 indicates that 4-(5-bromo-2,4-dimethoxybenzylidene)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-bromo-2,4-dimethoxybenzylidene)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-(5-bromo-2,4-dimethoxybenzylidene)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(5-bromo-2,4-dimethoxybenzylidene)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 4-(5-bromo-2,4-dimethoxybenzylidene)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one is 314279-86-2.
What is the molecular formula of 4-(5-bromo-2,4-dimethoxybenzylidene)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-(5-bromo-2,4-dimethoxybenzylidene)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one is C28H21BrN4O5S.
What is the molecular weight of 4-(5-bromo-2,4-dimethoxybenzylidene)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-(5-bromo-2,4-dimethoxybenzylidene)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one is 604.04 g/mol.
Where can I buy 4-(5-bromo-2,4-dimethoxybenzylidene)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-(5-bromo-2,4-dimethoxybenzylidene)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-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-(5-bromo-2,4-dimethoxybenzylidene)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-bromo-2,4-dimethoxybenzylidene)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.