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 249.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(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
Technical Specifications
| Molecular Formula | C16H11NO2 |
| Molecular Weight | 249.07898 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.07898 Da |
| Heavy Atoms | 19 |
| Complexity | 399.0 |
| SMILES | C1=CC=C(C=C1)/C=C\2/C(=NOC2=O)C3=CC=CC=C3 |
| InChIKey | DBPNBHOCUSFGKI-KAMYIIQDSA-N |
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 3.9 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 38.7 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
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 249.07898 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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Benzylidene-3-phenyl-4H-isoxazol-5-one?
Yes, CoreyChem 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.