![4-{3-bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzylidene}-2-{4-chloro-3-nitrophenyl}-1,3-oxazol-5(4H)-one structure](/static/products/4452/445251-20-7.webp)
4-{3-bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzylidene}-2-{4-chloro-3-nitrophenyl}-1,3-oxazol-5(4H)-one
TL;DR: 4-{3-bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzylidene}-2-{4-chloro-3-nitrophenyl}-1,3-oxazol-5(4H)-one (CAS 445251-20-7) is a chemical compound with molecular formula C25H17BrCl2N2O6 and molecular weight 589.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-2-(4-chloro-3-nitrophenyl)-1,3-oxazol-5-one
Also Known As: 4-{3-bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzylidene}-2-{4-chloro-3-nitrophenyl}-1,3-oxazol-5(4H)-one, (4Z)-4-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-2-(4-chloro-3-nitrophenyl)-1,3-oxazol-5-one
| Molecular Formula | C25H17BrCl2N2O6 |
|---|---|
| Molecular Weight | 589.96 g/mol |
| LogP | 6.9863 |
| Topological Polar Surface Area | 100.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 589.9647 |
| Heavy Atoms | 36 |
| Complexity | 1423.6536 |
Chemical Identifiers
| CAS Number | 445251-20-7 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)OC(=N2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Br)OCC4=CC(=CC=C4)Cl |
Product Overview
4-{3-bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzylidene}-2-{4-chloro-3-nitrophenyl}-1,3-oxazol-5(4H)-one (CAS 445251-20-7), with molecular formula C25H17BrCl2N2O6 and molecular weight 589.96 g/mol. IUPAC: (4Z)-4-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-2-(4-chloro-3-nitrophenyl)-1,3-oxazol-5-one.
Chemical Property Profile of 4-{3-bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzylidene}-2-{4-chloro-3-nitrophenyl}-1,3-oxazol-5(4H)-one
Property Insights of 4-{3-bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzylidene}-2-{4-chloro-3-nitrophenyl}-1,3-oxazol-5(4H)-one
The XLogP value of 6.9863 indicates that 4-{3-bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzylidene}-2-{4-chloro-3-nitrophenyl}-1,3-oxazol-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{3-bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzylidene}-2-{4-chloro-3-nitrophenyl}-1,3-oxazol-5(4H)-one. Following Lipinski's Rule of Five, 4-{3-bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzylidene}-2-{4-chloro-3-nitrophenyl}-1,3-oxazol-5(4H)-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{3-bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzylidene}-2-{4-chloro-3-nitrophenyl}-1,3-oxazol-5(4H)-one?
The CAS number of 4-{3-bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzylidene}-2-{4-chloro-3-nitrophenyl}-1,3-oxazol-5(4H)-one is 445251-20-7.
What is the molecular formula of 4-{3-bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzylidene}-2-{4-chloro-3-nitrophenyl}-1,3-oxazol-5(4H)-one?
The molecular formula of 4-{3-bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzylidene}-2-{4-chloro-3-nitrophenyl}-1,3-oxazol-5(4H)-one is C25H17BrCl2N2O6.
What is the molecular weight of 4-{3-bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzylidene}-2-{4-chloro-3-nitrophenyl}-1,3-oxazol-5(4H)-one?
The molecular weight of 4-{3-bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzylidene}-2-{4-chloro-3-nitrophenyl}-1,3-oxazol-5(4H)-one is 589.96 g/mol.
Where can I buy 4-{3-bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzylidene}-2-{4-chloro-3-nitrophenyl}-1,3-oxazol-5(4H)-one?
You can request a quote for 4-{3-bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzylidene}-2-{4-chloro-3-nitrophenyl}-1,3-oxazol-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{3-bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzylidene}-2-{4-chloro-3-nitrophenyl}-1,3-oxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-{3-bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzylidene}-2-{4-chloro-3-nitrophenyl}-1,3-oxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.