![4-{3-bromo-5-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(1-naphthyl)-1,3-oxazol-5(4H)-one structure](/static/products/3545/354550-22-4.webp)
4-{3-bromo-5-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(1-naphthyl)-1,3-oxazol-5(4H)-one
TL;DR: 4-{3-bromo-5-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(1-naphthyl)-1,3-oxazol-5(4H)-one (CAS 354550-22-4) is a chemical compound with molecular formula C29H22BrNO4 and molecular weight 527.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[[3-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one
Also Known As: 4-{3-bromo-5-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(1-naphthyl)-1,3-oxazol-5(4H)-one, (4E)-4-[[3-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one, (4E)-4-{3-bromo-5-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(naphthalen-1-yl)-1,3-oxazol-5(4H)-one
| Molecular Formula | C29H22BrNO4 |
|---|---|
| Molecular Weight | 527.07 g/mol |
| LogP | 6.84282 |
| Topological Polar Surface Area | 57.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 527.07324 |
| Heavy Atoms | 35 |
| Complexity | 1500.8413 |
Chemical Identifiers
| CAS Number | 354550-22-4 |
|---|---|
| SMILES | CC1=CC=CC=C1COC2=C(C=C(C=C2Br)/C=C/3\C(=O)OC(=N3)C4=CC=CC5=CC=CC=C54)OC |
Product Overview
4-{3-bromo-5-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(1-naphthyl)-1,3-oxazol-5(4H)-one (CAS 354550-22-4), with molecular formula C29H22BrNO4 and molecular weight 527.07 g/mol. IUPAC: (4E)-4-[[3-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one.
Chemical Property Profile of 4-{3-bromo-5-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(1-naphthyl)-1,3-oxazol-5(4H)-one
Property Insights of 4-{3-bromo-5-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(1-naphthyl)-1,3-oxazol-5(4H)-one
The XLogP value of 6.84282 indicates that 4-{3-bromo-5-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(1-naphthyl)-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-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(1-naphthyl)-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-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(1-naphthyl)-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-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(1-naphthyl)-1,3-oxazol-5(4H)-one?
The CAS number of 4-{3-bromo-5-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(1-naphthyl)-1,3-oxazol-5(4H)-one is 354550-22-4.
What is the molecular formula of 4-{3-bromo-5-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(1-naphthyl)-1,3-oxazol-5(4H)-one?
The molecular formula of 4-{3-bromo-5-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(1-naphthyl)-1,3-oxazol-5(4H)-one is C29H22BrNO4.
What is the molecular weight of 4-{3-bromo-5-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(1-naphthyl)-1,3-oxazol-5(4H)-one?
The molecular weight of 4-{3-bromo-5-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(1-naphthyl)-1,3-oxazol-5(4H)-one is 527.07 g/mol.
Where can I buy 4-{3-bromo-5-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(1-naphthyl)-1,3-oxazol-5(4H)-one?
You can request a quote for 4-{3-bromo-5-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(1-naphthyl)-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-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(1-naphthyl)-1,3-oxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-{3-bromo-5-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(1-naphthyl)-1,3-oxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.