(E)-4-(4-((3,4-dichlorobenzyl)oxy)-3-methoxybenzylidene)-3-phenylisoxazol-5(4H)-one
TL;DR: (E)-4-(4-((3,4-dichlorobenzyl)oxy)-3-methoxybenzylidene)-3-phenylisoxazol-5(4H)-one (CAS 672274-88-3) is a chemical compound with molecular formula C24H17Cl2NO4 and molecular weight 453.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
Also Known As: (E)-4-(4-((3,4-dichlorobenzyl)oxy)-3-methoxybenzylidene)-3-phenylisoxazol-5(4H)-one, (4E)-4-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-phenyl-1,2-oxazol-5-one, 4-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxy-phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
| Molecular Formula | C24H17Cl2NO4 |
|---|---|
| Molecular Weight | 453.05 g/mol |
| LogP | 5.9255 |
| Topological Polar Surface Area | 57.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.05347 |
| Heavy Atoms | 31 |
| Complexity | 1189.4386 |
Chemical Identifiers
| CAS Number | 672274-88-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=NOC2=O)C3=CC=CC=C3)OCC4=CC(=C(C=C4)Cl)Cl |
Product Overview
(E)-4-(4-((3,4-dichlorobenzyl)oxy)-3-methoxybenzylidene)-3-phenylisoxazol-5(4H)-one (CAS 672274-88-3), with molecular formula C24H17Cl2NO4 and molecular weight 453.05 g/mol. IUPAC: (4E)-4-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-phenyl-1,2-oxazol-5-one.
Chemical Property Profile of (E)-4-(4-((3,4-dichlorobenzyl)oxy)-3-methoxybenzylidene)-3-phenylisoxazol-5(4H)-one
Property Insights of (E)-4-(4-((3,4-dichlorobenzyl)oxy)-3-methoxybenzylidene)-3-phenylisoxazol-5(4H)-one
The XLogP value of 5.9255 indicates that (E)-4-(4-((3,4-dichlorobenzyl)oxy)-3-methoxybenzylidene)-3-phenylisoxazol-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, (E)-4-(4-((3,4-dichlorobenzyl)oxy)-3-methoxybenzylidene)-3-phenylisoxazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-(4-((3,4-dichlorobenzyl)oxy)-3-methoxybenzylidene)-3-phenylisoxazol-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 (E)-4-(4-((3,4-dichlorobenzyl)oxy)-3-methoxybenzylidene)-3-phenylisoxazol-5(4H)-one?
The CAS number of (E)-4-(4-((3,4-dichlorobenzyl)oxy)-3-methoxybenzylidene)-3-phenylisoxazol-5(4H)-one is 672274-88-3.
What is the molecular formula of (E)-4-(4-((3,4-dichlorobenzyl)oxy)-3-methoxybenzylidene)-3-phenylisoxazol-5(4H)-one?
The molecular formula of (E)-4-(4-((3,4-dichlorobenzyl)oxy)-3-methoxybenzylidene)-3-phenylisoxazol-5(4H)-one is C24H17Cl2NO4.
What is the molecular weight of (E)-4-(4-((3,4-dichlorobenzyl)oxy)-3-methoxybenzylidene)-3-phenylisoxazol-5(4H)-one?
The molecular weight of (E)-4-(4-((3,4-dichlorobenzyl)oxy)-3-methoxybenzylidene)-3-phenylisoxazol-5(4H)-one is 453.05 g/mol.
Where can I buy (E)-4-(4-((3,4-dichlorobenzyl)oxy)-3-methoxybenzylidene)-3-phenylisoxazol-5(4H)-one?
You can request a quote for (E)-4-(4-((3,4-dichlorobenzyl)oxy)-3-methoxybenzylidene)-3-phenylisoxazol-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 (E)-4-(4-((3,4-dichlorobenzyl)oxy)-3-methoxybenzylidene)-3-phenylisoxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(4-((3,4-dichlorobenzyl)oxy)-3-methoxybenzylidene)-3-phenylisoxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.