3,4-diphenyl-5(2H)-isoxazolone
TL;DR: 3,4-diphenyl-5(2H)-isoxazolone (CAS 64059-67-2) is a chemical compound with molecular formula C15H11NO2 and molecular weight 237.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-diphenyl-2H-1,2-oxazol-5-one
Also Known As: 5-Isoxazolol,3,4-diphenyl-, 3,4-diphenyl-2H-1,2-oxazol-5-one, 3,4-diphenyl-5(2H)-isoxazolone, 3,4-Diphenylisoxazol-5-ol, 5-Isoxazolol,3,4-diphenyl
| Molecular Formula | C15H11NO2 |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.07898 |
| Heavy Atoms | 18 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 64059-67-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(NOC2=O)C3=CC=CC=C3 |
| InChIKey | KZWBGELYVCMLRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-diphenyl-5(2H)-isoxazolone (CAS 64059-67-2), with molecular formula C15H11NO2 and molecular weight 237.08 g/mol. IUPAC: 3,4-diphenyl-2H-1,2-oxazol-5-one.
Chemical Property Profile of 3,4-diphenyl-5(2H)-isoxazolone
Property Insights of 3,4-diphenyl-5(2H)-isoxazolone
The XLogP value of 3.6 indicates that 3,4-diphenyl-5(2H)-isoxazolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 3,4-diphenyl-5(2H)-isoxazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-diphenyl-5(2H)-isoxazolone has 1 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 3,4-diphenyl-5(2H)-isoxazolone?
The CAS number of 3,4-diphenyl-5(2H)-isoxazolone is 64059-67-2.
What is the molecular formula of 3,4-diphenyl-5(2H)-isoxazolone?
The molecular formula of 3,4-diphenyl-5(2H)-isoxazolone is C15H11NO2.
What is the molecular weight of 3,4-diphenyl-5(2H)-isoxazolone?
The molecular weight of 3,4-diphenyl-5(2H)-isoxazolone is 237.08 g/mol.
Where can I buy 3,4-diphenyl-5(2H)-isoxazolone?
You can request a quote for 3,4-diphenyl-5(2H)-isoxazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-diphenyl-5(2H)-isoxazolone?
Yes, KEHONG BIO provides custom synthesis services for 3,4-diphenyl-5(2H)-isoxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.