4,5-Isoxazoledione, 3-methyl-, 4-(o-tolylhydrazone)
TL;DR: 4,5-Isoxazoledione, 3-methyl-, 4-(o-tolylhydrazone) (CAS 6017-60-3) is a chemical compound with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-[(2-methylphenyl)diazenyl]-2H-1,2-oxazol-5-one
Also Known As: 3-Methyl-4-[2- hydrazono]isoxazole-5 -one, 4,5-Isoxazoledione, 3-methyl-, 4-(o-tolylhydrazone), 3-methyl-4-(o-methylphenylhydrazono)isoxazol-5-one, 4,5-Isoxazoledione, 3-methyl-, 4-[(2-methylphenyl)hydrazone], 3-Methyl-4-[2-(2-methylphenyl)hydrazono]isoxazole-5(4H)-one
| Molecular Formula | C11H11N3O2 |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 63.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.08513 |
| Heavy Atoms | 16 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 6017-60-3 |
|---|---|
| SMILES | CC1=CC=CC=C1N=NC2=C(NOC2=O)C |
| InChIKey | PGLOEJBJNVJAMK-UHFFFAOYSA-N |
Product Overview
4,5-Isoxazoledione, 3-methyl-, 4-(o-tolylhydrazone) (CAS 6017-60-3), with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol. IUPAC: 3-methyl-4-[(2-methylphenyl)diazenyl]-2H-1,2-oxazol-5-one.
Chemical Property Profile of 4,5-Isoxazoledione, 3-methyl-, 4-(o-tolylhydrazone)
Property Insights of 4,5-Isoxazoledione, 3-methyl-, 4-(o-tolylhydrazone)
The XLogP value of 3.0 indicates that 4,5-Isoxazoledione, 3-methyl-, 4-(o-tolylhydrazone) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Isoxazoledione, 3-methyl-, 4-(o-tolylhydrazone). Following Lipinski's Rule of Five, 4,5-Isoxazoledione, 3-methyl-, 4-(o-tolylhydrazone) 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
Frequently Asked Questions
What is the CAS number of 4,5-Isoxazoledione, 3-methyl-, 4-(o-tolylhydrazone)?
The CAS number of 4,5-Isoxazoledione, 3-methyl-, 4-(o-tolylhydrazone) is 6017-60-3.
What is the molecular formula of 4,5-Isoxazoledione, 3-methyl-, 4-(o-tolylhydrazone)?
The molecular formula of 4,5-Isoxazoledione, 3-methyl-, 4-(o-tolylhydrazone) is C11H11N3O2.
What is the molecular weight of 4,5-Isoxazoledione, 3-methyl-, 4-(o-tolylhydrazone)?
The molecular weight of 4,5-Isoxazoledione, 3-methyl-, 4-(o-tolylhydrazone) is 217.09 g/mol.
Where can I buy 4,5-Isoxazoledione, 3-methyl-, 4-(o-tolylhydrazone)?
You can request a quote for 4,5-Isoxazoledione, 3-methyl-, 4-(o-tolylhydrazone) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Isoxazoledione, 3-methyl-, 4-(o-tolylhydrazone)?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Isoxazoledione, 3-methyl-, 4-(o-tolylhydrazone) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.