4-Benzylidene-3-phenyl-4H-isoxazol-5-one
TL;DR: 4-Benzylidene-3-phenyl-4H-isoxazol-5-one (CAS 1088-32-0) is a chemical compound with molecular formula C16H11NO2 and molecular weight 249.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-benzylidene-3-phenyl-1,2-oxazol-5-one
Also Known As: 4-BENZYLIDENE-3-PHENYL-4H-ISOXAZOL-5-ONE, 4-benzylidene-3-phenyl-1,2-oxazol-5-one, 4-benzylidene-3-phenylisoxazol-5(4h)-one, (Z)-4-Benzylidene-3-phenylisoxazol-5(4H)-one, 3-phenyl-4-(phenylmethylene)isoxazol-5-one
| Molecular Formula | C16H11NO2 |
|---|---|
| Molecular Weight | 249.08 g/mol |
| LogP | 3.0311 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.07898 |
| Heavy Atoms | 19 |
| Complexity | 657.66296 |
Chemical Identifiers
| CAS Number | 1088-32-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C\2/C(=NOC2=O)C3=CC=CC=C3 |
Product Overview
4-Benzylidene-3-phenyl-4H-isoxazol-5-one (CAS 1088-32-0), with molecular formula C16H11NO2 and molecular weight 249.08 g/mol. IUPAC: (4Z)-4-benzylidene-3-phenyl-1,2-oxazol-5-one.
Chemical Property Profile of 4-Benzylidene-3-phenyl-4H-isoxazol-5-one
Property Insights of 4-Benzylidene-3-phenyl-4H-isoxazol-5-one
The XLogP value of 3.0311 indicates that 4-Benzylidene-3-phenyl-4H-isoxazol-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.66 Ų, 4-Benzylidene-3-phenyl-4H-isoxazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzylidene-3-phenyl-4H-isoxazol-5-one 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-Benzylidene-3-phenyl-4H-isoxazol-5-one?
The CAS number of 4-Benzylidene-3-phenyl-4H-isoxazol-5-one is 1088-32-0.
What is the molecular formula of 4-Benzylidene-3-phenyl-4H-isoxazol-5-one?
The molecular formula of 4-Benzylidene-3-phenyl-4H-isoxazol-5-one is C16H11NO2.
What is the molecular weight of 4-Benzylidene-3-phenyl-4H-isoxazol-5-one?
The molecular weight of 4-Benzylidene-3-phenyl-4H-isoxazol-5-one is 249.08 g/mol.
Where can I buy 4-Benzylidene-3-phenyl-4H-isoxazol-5-one?
You can request a quote for 4-Benzylidene-3-phenyl-4H-isoxazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzylidene-3-phenyl-4H-isoxazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzylidene-3-phenyl-4H-isoxazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.