4-benzylidene-3-(4-methylphenyl)-5(4H)-isoxazolone
TL;DR: 4-benzylidene-3-(4-methylphenyl)-5(4H)-isoxazolone (CAS 1227841-50-0) is a chemical compound with molecular formula C17H13NO2 and molecular weight 263.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4Z)-4-benzylidene-3-(4-methylphenyl)-1,2-oxazol-5-one
Also Known As: 4-benzylidene-3-(4-methylphenyl)-5(4H)-isoxazolone, J2.843.208I, 3-(p-Tolyl)-4-benzylidene-2-isoxazoline-5-one, (4Z)-4-benzylidene-3-(4-methylphenyl)-1,2-oxazol-5-one, 3-(4-methylphenyl)-4-(phenylmethylene)isoxazol-5-one
Technical Specifications
| Molecular Formula | C17H13NO2 |
| Molecular Weight | 263.09464 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.09464 Da |
| Heavy Atoms | 20 |
| Complexity | 424.0 |
| SMILES | CC1=CC=C(C=C1)C\2=NOC(=O)/C2=C\C3=CC=CC=C3 |
| InChIKey | KKCJFFDBFBWXMI-PTNGSMBKSA-N |
Chemical Property Profile of 4-benzylidene-3-(4-methylphenyl)-5(4H)-isoxazolone
Property Insights of 4-benzylidene-3-(4-methylphenyl)-5(4H)-isoxazolone
The XLogP value of 4.3 indicates that 4-benzylidene-3-(4-methylphenyl)-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-benzylidene-3-(4-methylphenyl)-5(4H)-isoxazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzylidene-3-(4-methylphenyl)-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
What is the CAS number of 4-benzylidene-3-(4-methylphenyl)-5(4H)-isoxazolone?
The CAS number of 4-benzylidene-3-(4-methylphenyl)-5(4H)-isoxazolone is 1227841-50-0.
What is the molecular formula of 4-benzylidene-3-(4-methylphenyl)-5(4H)-isoxazolone?
The molecular formula of 4-benzylidene-3-(4-methylphenyl)-5(4H)-isoxazolone is C17H13NO2.
What is the molecular weight of 4-benzylidene-3-(4-methylphenyl)-5(4H)-isoxazolone?
The molecular weight of 4-benzylidene-3-(4-methylphenyl)-5(4H)-isoxazolone is 263.09464 g/mol.
Where can I buy 4-benzylidene-3-(4-methylphenyl)-5(4H)-isoxazolone?
You can request a quote for 4-benzylidene-3-(4-methylphenyl)-5(4H)-isoxazolone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-benzylidene-3-(4-methylphenyl)-5(4H)-isoxazolone?
Yes, CoreyChem provides custom synthesis services for 4-benzylidene-3-(4-methylphenyl)-5(4H)-isoxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.