4-(2-(2-chlorobenzyloxy)benzylidene)-3-phenylisoxazol-5(4H)-one
TL;DR: 4-(2-(2-chlorobenzyloxy)benzylidene)-3-phenylisoxazol-5(4H)-one (CAS 351188-79-9) is a chemical compound with molecular formula C23H16ClNO3 and molecular weight 389.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
Also Known As: 4-(2-(2-chlorobenzyloxy)benzylidene)-3-phenylisoxazol-5(4H)-one, 4-{2-[(2-chlorobenzyl)oxy]benzylidene}-3-phenyl-5(4H)-isoxazolone, (E)-4-(2-((2-chlorobenzyl)oxy)benzylidene)-3-phenylisoxazol-5(4H)-one, (4E)-4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one, (4E)-4-{2-[(2-chlorobenzyl)oxy]benzylidene}-3-phenyl-1,2-oxazol-5(4H)-one
| Molecular Formula | C23H16ClNO3 |
|---|---|
| Molecular Weight | 389.08 g/mol |
| LogP | 5.2635 |
| Topological Polar Surface Area | 47.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.08188 |
| Heavy Atoms | 28 |
| Complexity | 1073.9702 |
Chemical Identifiers
| CAS Number | 351188-79-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C\2=NOC(=O)/C2=C/C3=CC=CC=C3OCC4=CC=CC=C4Cl |
Product Overview
4-(2-(2-chlorobenzyloxy)benzylidene)-3-phenylisoxazol-5(4H)-one (CAS 351188-79-9), with molecular formula C23H16ClNO3 and molecular weight 389.08 g/mol. IUPAC: (4E)-4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one.
Chemical Property Profile of 4-(2-(2-chlorobenzyloxy)benzylidene)-3-phenylisoxazol-5(4H)-one
Property Insights of 4-(2-(2-chlorobenzyloxy)benzylidene)-3-phenylisoxazol-5(4H)-one
The XLogP value of 5.2635 indicates that 4-(2-(2-chlorobenzyloxy)benzylidene)-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 47.89 Ų, 4-(2-(2-chlorobenzyloxy)benzylidene)-3-phenylisoxazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-(2-chlorobenzyloxy)benzylidene)-3-phenylisoxazol-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-(2-(2-chlorobenzyloxy)benzylidene)-3-phenylisoxazol-5(4H)-one?
The CAS number of 4-(2-(2-chlorobenzyloxy)benzylidene)-3-phenylisoxazol-5(4H)-one is 351188-79-9.
What is the molecular formula of 4-(2-(2-chlorobenzyloxy)benzylidene)-3-phenylisoxazol-5(4H)-one?
The molecular formula of 4-(2-(2-chlorobenzyloxy)benzylidene)-3-phenylisoxazol-5(4H)-one is C23H16ClNO3.
What is the molecular weight of 4-(2-(2-chlorobenzyloxy)benzylidene)-3-phenylisoxazol-5(4H)-one?
The molecular weight of 4-(2-(2-chlorobenzyloxy)benzylidene)-3-phenylisoxazol-5(4H)-one is 389.08 g/mol.
Where can I buy 4-(2-(2-chlorobenzyloxy)benzylidene)-3-phenylisoxazol-5(4H)-one?
You can request a quote for 4-(2-(2-chlorobenzyloxy)benzylidene)-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 4-(2-(2-chlorobenzyloxy)benzylidene)-3-phenylisoxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-(2-chlorobenzyloxy)benzylidene)-3-phenylisoxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.