4-(4-Chlorobenzylidene)-3-methylisoxazol-5(4h)-one
TL;DR: 4-(4-Chlorobenzylidene)-3-methylisoxazol-5(4h)-one (CAS 136320-19-9) is a chemical compound with molecular formula C11H8ClNO2 and molecular weight 221.02435 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4E)-4-[(4-chlorophenyl)methylidene]-3-methyl-1,2-oxazol-5-one
Also Known As: 4-(4-chlorobenzylidene)-3-methylisoxazol-5(4h)-one, J3.672.947C, 3-Methyl-4-(4-chlorobenzylidene)isoxazole-5(4H)-one, 4-(4-chloro-benzylidene)-3-methyl-4H-isoxazol-5-one, 4-(4-chlorobenzylidene)-3-methyl-5(4H)-isoxazolone
Technical Specifications
| Molecular Formula | C11H8ClNO2 |
| Molecular Weight | 221.02435 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.02435 Da |
| Heavy Atoms | 15 |
| Complexity | 327.0 |
| SMILES | CC\1=NOC(=O)/C1=C/C2=CC=C(C=C2)Cl |
| InChIKey | XKTCNDWKBSLGGV-UXBLZVDNSA-N |
Chemical Property Profile of 4-(4-Chlorobenzylidene)-3-methylisoxazol-5(4h)-one
Property Insights of 4-(4-Chlorobenzylidene)-3-methylisoxazol-5(4h)-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chlorobenzylidene)-3-methylisoxazol-5(4h)-one. With a topological polar surface area (TPSA) of 38.7 Ų, 4-(4-Chlorobenzylidene)-3-methylisoxazol-5(4h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorobenzylidene)-3-methylisoxazol-5(4h)-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-(4-Chlorobenzylidene)-3-methylisoxazol-5(4h)-one?
The CAS number of 4-(4-Chlorobenzylidene)-3-methylisoxazol-5(4h)-one is 136320-19-9.
What is the molecular formula of 4-(4-Chlorobenzylidene)-3-methylisoxazol-5(4h)-one?
The molecular formula of 4-(4-Chlorobenzylidene)-3-methylisoxazol-5(4h)-one is C11H8ClNO2.
What is the molecular weight of 4-(4-Chlorobenzylidene)-3-methylisoxazol-5(4h)-one?
The molecular weight of 4-(4-Chlorobenzylidene)-3-methylisoxazol-5(4h)-one is 221.02435 g/mol.
Where can I buy 4-(4-Chlorobenzylidene)-3-methylisoxazol-5(4h)-one?
You can request a quote for 4-(4-Chlorobenzylidene)-3-methylisoxazol-5(4h)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Chlorobenzylidene)-3-methylisoxazol-5(4h)-one?
Yes, CoreyChem provides custom synthesis services for 4-(4-Chlorobenzylidene)-3-methylisoxazol-5(4h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.