4-(2,5-dimethylbenzylidene)-3-phenyl-5(4H)-isoxazolone
TL;DR: 4-(2,5-dimethylbenzylidene)-3-phenyl-5(4H)-isoxazolone (CAS 350511-85-2) is a chemical compound with molecular formula C18H15NO2 and molecular weight 277.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-[(2,5-dimethylphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
Also Known As: 4-(2,5-dimethylbenzylidene)-3-phenyl-5(4H)-isoxazolone, (4Z)-4-[(2,5-dimethylphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
| Molecular Formula | C18H15NO2 |
|---|---|
| Molecular Weight | 277.11 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.1103 |
| Heavy Atoms | 21 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 350511-85-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)/C=C\2/C(=NOC2=O)C3=CC=CC=C3 |
| InChIKey | YSJBJVQJGDLENV-WJDWOHSUSA-N |
Product Overview
4-(2,5-dimethylbenzylidene)-3-phenyl-5(4H)-isoxazolone (CAS 350511-85-2), with molecular formula C18H15NO2 and molecular weight 277.11 g/mol. IUPAC: (4Z)-4-[(2,5-dimethylphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one.
Chemical Property Profile of 4-(2,5-dimethylbenzylidene)-3-phenyl-5(4H)-isoxazolone
Property Insights of 4-(2,5-dimethylbenzylidene)-3-phenyl-5(4H)-isoxazolone
The XLogP value of 4.6 indicates that 4-(2,5-dimethylbenzylidene)-3-phenyl-5(4H)-isoxazolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, 4-(2,5-dimethylbenzylidene)-3-phenyl-5(4H)-isoxazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,5-dimethylbenzylidene)-3-phenyl-5(4H)-isoxazolone has 0 hydrogen bond donor(s) and 3 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-(2,5-dimethylbenzylidene)-3-phenyl-5(4H)-isoxazolone?
The CAS number of 4-(2,5-dimethylbenzylidene)-3-phenyl-5(4H)-isoxazolone is 350511-85-2.
What is the molecular formula of 4-(2,5-dimethylbenzylidene)-3-phenyl-5(4H)-isoxazolone?
The molecular formula of 4-(2,5-dimethylbenzylidene)-3-phenyl-5(4H)-isoxazolone is C18H15NO2.
What is the molecular weight of 4-(2,5-dimethylbenzylidene)-3-phenyl-5(4H)-isoxazolone?
The molecular weight of 4-(2,5-dimethylbenzylidene)-3-phenyl-5(4H)-isoxazolone is 277.11 g/mol.
Where can I buy 4-(2,5-dimethylbenzylidene)-3-phenyl-5(4H)-isoxazolone?
You can request a quote for 4-(2,5-dimethylbenzylidene)-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-(2,5-dimethylbenzylidene)-3-phenyl-5(4H)-isoxazolone?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-dimethylbenzylidene)-3-phenyl-5(4H)-isoxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.