![4-{3,5-dibromo-4-[(3-chlorobenzyl)oxy]benzylidene}-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one structure](/static/products/4452/445250-89-5.webp)
4-{3,5-dibromo-4-[(3-chlorobenzyl)oxy]benzylidene}-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one
TL;DR: 4-{3,5-dibromo-4-[(3-chlorobenzyl)oxy]benzylidene}-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one (CAS 445250-89-5) is a chemical compound with molecular formula C23H13Br2ClFNO3 and molecular weight 562.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
Also Known As: 4-{3,5-dibromo-4-[(3-chlorobenzyl)oxy]benzylidene}-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one, (4Z)-4-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
| Molecular Formula | C23H13Br2ClFNO3 |
|---|---|
| Molecular Weight | 562.89 g/mol |
| LogP | 6.9276 |
| Topological Polar Surface Area | 47.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 562.8935 |
| Heavy Atoms | 31 |
| Complexity | 1219.9913 |
Chemical Identifiers
| CAS Number | 445250-89-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)COC2=C(C=C(C=C2Br)/C=C\3/C(=O)OC(=N3)C4=CC(=CC=C4)F)Br |
Product Overview
4-{3,5-dibromo-4-[(3-chlorobenzyl)oxy]benzylidene}-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one (CAS 445250-89-5), with molecular formula C23H13Br2ClFNO3 and molecular weight 562.89 g/mol. IUPAC: (4Z)-4-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one.
Chemical Property Profile of 4-{3,5-dibromo-4-[(3-chlorobenzyl)oxy]benzylidene}-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one
Property Insights of 4-{3,5-dibromo-4-[(3-chlorobenzyl)oxy]benzylidene}-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one
The XLogP value of 6.9276 indicates that 4-{3,5-dibromo-4-[(3-chlorobenzyl)oxy]benzylidene}-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 47.89 Ų, 4-{3,5-dibromo-4-[(3-chlorobenzyl)oxy]benzylidene}-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-{3,5-dibromo-4-[(3-chlorobenzyl)oxy]benzylidene}-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{3,5-dibromo-4-[(3-chlorobenzyl)oxy]benzylidene}-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one?
The CAS number of 4-{3,5-dibromo-4-[(3-chlorobenzyl)oxy]benzylidene}-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one is 445250-89-5.
What is the molecular formula of 4-{3,5-dibromo-4-[(3-chlorobenzyl)oxy]benzylidene}-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one?
The molecular formula of 4-{3,5-dibromo-4-[(3-chlorobenzyl)oxy]benzylidene}-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one is C23H13Br2ClFNO3.
What is the molecular weight of 4-{3,5-dibromo-4-[(3-chlorobenzyl)oxy]benzylidene}-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one?
The molecular weight of 4-{3,5-dibromo-4-[(3-chlorobenzyl)oxy]benzylidene}-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one is 562.89 g/mol.
Where can I buy 4-{3,5-dibromo-4-[(3-chlorobenzyl)oxy]benzylidene}-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one?
You can request a quote for 4-{3,5-dibromo-4-[(3-chlorobenzyl)oxy]benzylidene}-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-{3,5-dibromo-4-[(3-chlorobenzyl)oxy]benzylidene}-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-{3,5-dibromo-4-[(3-chlorobenzyl)oxy]benzylidene}-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.