4-(3-bromo-5-ethoxy-4-propoxybenzylidene)-2-(2-methylphenyl)-1,3-oxazol-5(4H)-one
TL;DR: 4-(3-bromo-5-ethoxy-4-propoxybenzylidene)-2-(2-methylphenyl)-1,3-oxazol-5(4H)-one (CAS 353468-73-2) is a chemical compound with molecular formula C22H22BrNO4 and molecular weight 443.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
Also Known As: 4-(3-bromo-5-ethoxy-4-propoxybenzylidene)-2-(2-methylphenyl)-1,3-oxazol-5(4H)-one, (4E)-4-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one, (4E)-4-(3-bromo-5-ethoxy-4-propoxybenzylidene)-2-(2-methylphenyl)-1,3-oxazol-5(4H)-one, 4-[(E)-1-(3-BROMO-5-ETHOXY-4-PROPOXYPHENYL)METHYLIDENE]-2-(2-METHYLPHENYL)-1,3-OXAZOL-5(4H)-ONE
| Molecular Formula | C22H22BrNO4 |
|---|---|
| Molecular Weight | 443.07 g/mol |
| LogP | 5.28952 |
| Topological Polar Surface Area | 57.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.0732 |
| Heavy Atoms | 28 |
| Complexity | 949.5481 |
Chemical Identifiers
| CAS Number | 353468-73-2 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1Br)/C=C/2\C(=O)OC(=N2)C3=CC=CC=C3C)OCC |
Product Overview
4-(3-bromo-5-ethoxy-4-propoxybenzylidene)-2-(2-methylphenyl)-1,3-oxazol-5(4H)-one (CAS 353468-73-2), with molecular formula C22H22BrNO4 and molecular weight 443.07 g/mol. IUPAC: (4E)-4-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one.
Chemical Property Profile of 4-(3-bromo-5-ethoxy-4-propoxybenzylidene)-2-(2-methylphenyl)-1,3-oxazol-5(4H)-one
Property Insights of 4-(3-bromo-5-ethoxy-4-propoxybenzylidene)-2-(2-methylphenyl)-1,3-oxazol-5(4H)-one
The XLogP value of 5.28952 indicates that 4-(3-bromo-5-ethoxy-4-propoxybenzylidene)-2-(2-methylphenyl)-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-(3-bromo-5-ethoxy-4-propoxybenzylidene)-2-(2-methylphenyl)-1,3-oxazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-bromo-5-ethoxy-4-propoxybenzylidene)-2-(2-methylphenyl)-1,3-oxazol-5(4H)-one has 0 hydrogen bond donor(s) and 5 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-5-ethoxy-4-propoxybenzylidene)-2-(2-methylphenyl)-1,3-oxazol-5(4H)-one?
The CAS number of 4-(3-bromo-5-ethoxy-4-propoxybenzylidene)-2-(2-methylphenyl)-1,3-oxazol-5(4H)-one is 353468-73-2.
What is the molecular formula of 4-(3-bromo-5-ethoxy-4-propoxybenzylidene)-2-(2-methylphenyl)-1,3-oxazol-5(4H)-one?
The molecular formula of 4-(3-bromo-5-ethoxy-4-propoxybenzylidene)-2-(2-methylphenyl)-1,3-oxazol-5(4H)-one is C22H22BrNO4.
What is the molecular weight of 4-(3-bromo-5-ethoxy-4-propoxybenzylidene)-2-(2-methylphenyl)-1,3-oxazol-5(4H)-one?
The molecular weight of 4-(3-bromo-5-ethoxy-4-propoxybenzylidene)-2-(2-methylphenyl)-1,3-oxazol-5(4H)-one is 443.07 g/mol.
Where can I buy 4-(3-bromo-5-ethoxy-4-propoxybenzylidene)-2-(2-methylphenyl)-1,3-oxazol-5(4H)-one?
You can request a quote for 4-(3-bromo-5-ethoxy-4-propoxybenzylidene)-2-(2-methylphenyl)-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-5-ethoxy-4-propoxybenzylidene)-2-(2-methylphenyl)-1,3-oxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-bromo-5-ethoxy-4-propoxybenzylidene)-2-(2-methylphenyl)-1,3-oxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.