![4-[4-(allyloxy)-3-bromo-5-ethoxybenzylidene]-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one structure](/static/products/5894/5894-72-4.webp)
4-[4-(allyloxy)-3-bromo-5-ethoxybenzylidene]-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one
TL;DR: 4-[4-(allyloxy)-3-bromo-5-ethoxybenzylidene]-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one (CAS 5894-72-4) is a chemical compound with molecular formula C21H17BrFNO4 and molecular weight 445.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-[(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
Also Known As: 4-[4-(allyloxy)-3-bromo-5-ethoxybenzylidene]-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one, (4Z)-4-[(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one, (4Z)-4-({3-Bromo-5-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one
| Molecular Formula | C21H17BrFNO4 |
|---|---|
| Molecular Weight | 445.03 g/mol |
| LogP | 4.8962 |
| Topological Polar Surface Area | 57.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.0325 |
| Heavy Atoms | 28 |
| Complexity | 984.366 |
Chemical Identifiers
| CAS Number | 5894-72-4 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)OC(=N2)C3=CC(=CC=C3)F)Br)OCC=C |
Product Overview
4-[4-(allyloxy)-3-bromo-5-ethoxybenzylidene]-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one (CAS 5894-72-4), with molecular formula C21H17BrFNO4 and molecular weight 445.03 g/mol. IUPAC: (4Z)-4-[(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one.
Chemical Property Profile of 4-[4-(allyloxy)-3-bromo-5-ethoxybenzylidene]-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one
Property Insights of 4-[4-(allyloxy)-3-bromo-5-ethoxybenzylidene]-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one
The XLogP value of 4.8962 indicates that 4-[4-(allyloxy)-3-bromo-5-ethoxybenzylidene]-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.12 Ų, 4-[4-(allyloxy)-3-bromo-5-ethoxybenzylidene]-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[4-(allyloxy)-3-bromo-5-ethoxybenzylidene]-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one has 0 hydrogen bond donor(s) and 5 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 4-[4-(allyloxy)-3-bromo-5-ethoxybenzylidene]-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one?
The CAS number of 4-[4-(allyloxy)-3-bromo-5-ethoxybenzylidene]-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one is 5894-72-4.
What is the molecular formula of 4-[4-(allyloxy)-3-bromo-5-ethoxybenzylidene]-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one?
The molecular formula of 4-[4-(allyloxy)-3-bromo-5-ethoxybenzylidene]-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one is C21H17BrFNO4.
What is the molecular weight of 4-[4-(allyloxy)-3-bromo-5-ethoxybenzylidene]-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one?
The molecular weight of 4-[4-(allyloxy)-3-bromo-5-ethoxybenzylidene]-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one is 445.03 g/mol.
Where can I buy 4-[4-(allyloxy)-3-bromo-5-ethoxybenzylidene]-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one?
You can request a quote for 4-[4-(allyloxy)-3-bromo-5-ethoxybenzylidene]-2-(3-fluorophenyl)-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-[4-(allyloxy)-3-bromo-5-ethoxybenzylidene]-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(allyloxy)-3-bromo-5-ethoxybenzylidene]-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.