4-(3,4-dimethoxybenzylidene)-3-methyl-5(4H)-isoxazolone
TL;DR: 4-(3,4-dimethoxybenzylidene)-3-methyl-5(4H)-isoxazolone (CAS 151825-33-1) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one
Also Known As: BAS 00713395, J3.229.865F, 4-(3,4-dimethoxybenzylidene)-3-methyl-5(4H)-isoxazolone, (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-4,5-dihydro-1,2-oxazol-5-one, 4-(3,4-Dimethoxy-benzylidene)-3-methyl-4H-isoxazol-5-one
Technical Specifications
| Molecular Formula | C13H13NO4 |
| Molecular Weight | 247.08446 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 57.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.08446 Da |
| Heavy Atoms | 18 |
| Complexity | 388.0 |
| SMILES | CC\1=NOC(=O)/C1=C\C2=CC(=C(C=C2)OC)OC |
| InChIKey | KMSGCEWAAJQXFP-POHAHGRESA-N |
Chemical Property Profile of 4-(3,4-dimethoxybenzylidene)-3-methyl-5(4H)-isoxazolone
Property Insights of 4-(3,4-dimethoxybenzylidene)-3-methyl-5(4H)-isoxazolone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,4-dimethoxybenzylidene)-3-methyl-5(4H)-isoxazolone. With a topological polar surface area (TPSA) of 57.1 Ų, 4-(3,4-dimethoxybenzylidene)-3-methyl-5(4H)-isoxazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,4-dimethoxybenzylidene)-3-methyl-5(4H)-isoxazolone has 0 hydrogen bond donor(s) and 5 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-(3,4-dimethoxybenzylidene)-3-methyl-5(4H)-isoxazolone?
The CAS number of 4-(3,4-dimethoxybenzylidene)-3-methyl-5(4H)-isoxazolone is 151825-33-1.
What is the molecular formula of 4-(3,4-dimethoxybenzylidene)-3-methyl-5(4H)-isoxazolone?
The molecular formula of 4-(3,4-dimethoxybenzylidene)-3-methyl-5(4H)-isoxazolone is C13H13NO4.
What is the molecular weight of 4-(3,4-dimethoxybenzylidene)-3-methyl-5(4H)-isoxazolone?
The molecular weight of 4-(3,4-dimethoxybenzylidene)-3-methyl-5(4H)-isoxazolone is 247.08446 g/mol.
Where can I buy 4-(3,4-dimethoxybenzylidene)-3-methyl-5(4H)-isoxazolone?
You can request a quote for 4-(3,4-dimethoxybenzylidene)-3-methyl-5(4H)-isoxazolone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3,4-dimethoxybenzylidene)-3-methyl-5(4H)-isoxazolone?
Yes, CoreyChem provides custom synthesis services for 4-(3,4-dimethoxybenzylidene)-3-methyl-5(4H)-isoxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.