4-(3-ethoxy-4-hydroxybenzylidene)-3-phenyl-5(4H)-isoxazolone
TL;DR: 4-(3-ethoxy-4-hydroxybenzylidene)-3-phenyl-5(4H)-isoxazolone (CAS 309938-55-4) is a chemical compound with molecular formula C18H15NO4 and molecular weight 309.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
Also Known As: BIM-0012355.P001, 4-(3-ethoxy-4-hydroxybenzylidene)-3-phenyl-5(4H)-isoxazolone, (E)-4-(3-ethoxy-4-hydroxybenzylidene)-3-phenylisoxazol-5(4H)-one, (4E)-4-[(3-ETHOXY-4-HYDROXYPHENYL)METHYLIDENE]-3-PHENYL-4,5-DIHYDRO-1,2-OXAZOL-5-ONE
| Molecular Formula | C18H15NO4 |
|---|---|
| Molecular Weight | 309.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 68.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.1001 |
| Heavy Atoms | 23 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 309938-55-4 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C/2\C(=NOC2=O)C3=CC=CC=C3)O |
| InChIKey | IPKGNGXHPLMXAO-GXDHUFHOSA-N |
Product Overview
4-(3-ethoxy-4-hydroxybenzylidene)-3-phenyl-5(4H)-isoxazolone (CAS 309938-55-4), with molecular formula C18H15NO4 and molecular weight 309.10 g/mol. IUPAC: (4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one.
Chemical Property Profile of 4-(3-ethoxy-4-hydroxybenzylidene)-3-phenyl-5(4H)-isoxazolone
Property Insights of 4-(3-ethoxy-4-hydroxybenzylidene)-3-phenyl-5(4H)-isoxazolone
The XLogP value of 3.9 indicates that 4-(3-ethoxy-4-hydroxybenzylidene)-3-phenyl-5(4H)-isoxazolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-ethoxy-4-hydroxybenzylidene)-3-phenyl-5(4H)-isoxazolone. Following Lipinski's Rule of Five, 4-(3-ethoxy-4-hydroxybenzylidene)-3-phenyl-5(4H)-isoxazolone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(3-ethoxy-4-hydroxybenzylidene)-3-phenyl-5(4H)-isoxazolone?
The CAS number of 4-(3-ethoxy-4-hydroxybenzylidene)-3-phenyl-5(4H)-isoxazolone is 309938-55-4.
What is the molecular formula of 4-(3-ethoxy-4-hydroxybenzylidene)-3-phenyl-5(4H)-isoxazolone?
The molecular formula of 4-(3-ethoxy-4-hydroxybenzylidene)-3-phenyl-5(4H)-isoxazolone is C18H15NO4.
What is the molecular weight of 4-(3-ethoxy-4-hydroxybenzylidene)-3-phenyl-5(4H)-isoxazolone?
The molecular weight of 4-(3-ethoxy-4-hydroxybenzylidene)-3-phenyl-5(4H)-isoxazolone is 309.10 g/mol.
Where can I buy 4-(3-ethoxy-4-hydroxybenzylidene)-3-phenyl-5(4H)-isoxazolone?
You can request a quote for 4-(3-ethoxy-4-hydroxybenzylidene)-3-phenyl-5(4H)-isoxazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-ethoxy-4-hydroxybenzylidene)-3-phenyl-5(4H)-isoxazolone?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-ethoxy-4-hydroxybenzylidene)-3-phenyl-5(4H)-isoxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.