5(2H)-Isoxazolone, 4-(1,3-benzodioxol-5-ylmethyl)-3-methyl-
TL;DR: 5(2H)-Isoxazolone, 4-(1,3-benzodioxol-5-ylmethyl)-3-methyl- (CAS 128156-32-1) is a chemical compound with molecular formula C12H11NO4 and molecular weight 233.0688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2H-1,2-oxazol-5-one
Also Known As: 3-Methyl-4-piperonyl-5-isoxazolone, 3-Methyl-4-piperonyl-5(4H)-isoxazolone, 5(2H)-Isoxazolone, 4-(1,3-benzodioxol-5-ylmethyl)-3-methyl-, 4-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2H-1,2-oxazol-5-one, 4-(Benzo[d][1,3]dioxol-5-ylmethyl)-3-methylisoxazol-5(2H)-one
Technical Specifications
| Molecular Formula | C12H11NO4 |
| Molecular Weight | 233.0688 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.0688 Da |
| Heavy Atoms | 17 |
| Complexity | 366.0 |
| SMILES | CC1=C(C(=O)ON1)CC2=CC3=C(C=C2)OCO3 |
| InChIKey | ZXRYDOWPIAWFIQ-UHFFFAOYSA-N |
Chemical Property Profile of 5(2H)-Isoxazolone, 4-(1,3-benzodioxol-5-ylmethyl)-3-methyl-
Property Insights of 5(2H)-Isoxazolone, 4-(1,3-benzodioxol-5-ylmethyl)-3-methyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5(2H)-Isoxazolone, 4-(1,3-benzodioxol-5-ylmethyl)-3-methyl-. With a topological polar surface area (TPSA) of 56.8 Ų, 5(2H)-Isoxazolone, 4-(1,3-benzodioxol-5-ylmethyl)-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5(2H)-Isoxazolone, 4-(1,3-benzodioxol-5-ylmethyl)-3-methyl- has 1 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 5(2H)-Isoxazolone, 4-(1,3-benzodioxol-5-ylmethyl)-3-methyl-?
The CAS number of 5(2H)-Isoxazolone, 4-(1,3-benzodioxol-5-ylmethyl)-3-methyl- is 128156-32-1.
What is the molecular formula of 5(2H)-Isoxazolone, 4-(1,3-benzodioxol-5-ylmethyl)-3-methyl-?
The molecular formula of 5(2H)-Isoxazolone, 4-(1,3-benzodioxol-5-ylmethyl)-3-methyl- is C12H11NO4.
What is the molecular weight of 5(2H)-Isoxazolone, 4-(1,3-benzodioxol-5-ylmethyl)-3-methyl-?
The molecular weight of 5(2H)-Isoxazolone, 4-(1,3-benzodioxol-5-ylmethyl)-3-methyl- is 233.0688 g/mol.
Where can I buy 5(2H)-Isoxazolone, 4-(1,3-benzodioxol-5-ylmethyl)-3-methyl-?
You can request a quote for 5(2H)-Isoxazolone, 4-(1,3-benzodioxol-5-ylmethyl)-3-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5(2H)-Isoxazolone, 4-(1,3-benzodioxol-5-ylmethyl)-3-methyl-?
Yes, CoreyChem provides custom synthesis services for 5(2H)-Isoxazolone, 4-(1,3-benzodioxol-5-ylmethyl)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.