![4-{3-bromo-5-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-2-{3-nitro-4-methylphenyl}-1,3-oxazol-5(4H)-one structure](/static/products/4452/445251-07-0.webp)
4-{3-bromo-5-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-2-{3-nitro-4-methylphenyl}-1,3-oxazol-5(4H)-one
TL;DR: 4-{3-bromo-5-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-2-{3-nitro-4-methylphenyl}-1,3-oxazol-5(4H)-one (CAS 445251-07-0) is a chemical compound with molecular formula C26H21BrN2O6 and molecular weight 536.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5-one
Also Known As: 4-{3-bromo-5-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-2-{3-nitro-4-methylphenyl}-1,3-oxazol-5(4H)-one, (4Z)-4-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5-one
| Molecular Formula | C26H21BrN2O6 |
|---|---|
| Molecular Weight | 536.06 g/mol |
| LogP | 5.90624 |
| Topological Polar Surface Area | 100.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 536.0583 |
| Heavy Atoms | 35 |
| Complexity | 1379.3346 |
Chemical Identifiers
| CAS Number | 445251-07-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)/C=C\3/C(=O)OC(=N3)C4=CC(=C(C=C4)C)[N+](=O)[O-])OC |
Product Overview
4-{3-bromo-5-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-2-{3-nitro-4-methylphenyl}-1,3-oxazol-5(4H)-one (CAS 445251-07-0), with molecular formula C26H21BrN2O6 and molecular weight 536.06 g/mol. IUPAC: (4Z)-4-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5-one.
Chemical Property Profile of 4-{3-bromo-5-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-2-{3-nitro-4-methylphenyl}-1,3-oxazol-5(4H)-one
Property Insights of 4-{3-bromo-5-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-2-{3-nitro-4-methylphenyl}-1,3-oxazol-5(4H)-one
The XLogP value of 5.90624 indicates that 4-{3-bromo-5-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-2-{3-nitro-4-methylphenyl}-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-5-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-2-{3-nitro-4-methylphenyl}-1,3-oxazol-5(4H)-one. Following Lipinski's Rule of Five, 4-{3-bromo-5-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-2-{3-nitro-4-methylphenyl}-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-5-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-2-{3-nitro-4-methylphenyl}-1,3-oxazol-5(4H)-one?
The CAS number of 4-{3-bromo-5-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-2-{3-nitro-4-methylphenyl}-1,3-oxazol-5(4H)-one is 445251-07-0.
What is the molecular formula of 4-{3-bromo-5-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-2-{3-nitro-4-methylphenyl}-1,3-oxazol-5(4H)-one?
The molecular formula of 4-{3-bromo-5-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-2-{3-nitro-4-methylphenyl}-1,3-oxazol-5(4H)-one is C26H21BrN2O6.
What is the molecular weight of 4-{3-bromo-5-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-2-{3-nitro-4-methylphenyl}-1,3-oxazol-5(4H)-one?
The molecular weight of 4-{3-bromo-5-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-2-{3-nitro-4-methylphenyl}-1,3-oxazol-5(4H)-one is 536.06 g/mol.
Where can I buy 4-{3-bromo-5-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-2-{3-nitro-4-methylphenyl}-1,3-oxazol-5(4H)-one?
You can request a quote for 4-{3-bromo-5-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-2-{3-nitro-4-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-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-2-{3-nitro-4-methylphenyl}-1,3-oxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-{3-bromo-5-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-2-{3-nitro-4-methylphenyl}-1,3-oxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.