3-Methyl-4-(N,4-dimethylphenylhydrazono)isoxazole-5-one
TL;DR: 3-Methyl-4-(N,4-dimethylphenylhydrazono)isoxazole-5-one (CAS 4550-12-3) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-3-methyl-4-[methyl-(4-methylphenyl)hydrazinylidene]-1,2-oxazol-5-one
Also Known As: 3-Methyl-4-(N,4-dimethylphenylhydrazono)isoxazole-5-one, 3-Methyl-4-(N-methyl-p-methylphenylhydrazono)isoxazol-5-one, (4Z)-3-Methyl-4,5-isoxazoledione 4-[methyl(4-methylphenyl)hydrazone] #
| Molecular Formula | C12H13N3O2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 1.71992 |
| Topological Polar Surface Area | 54.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.10077 |
| Heavy Atoms | 17 |
| Complexity | 502.98697 |
Chemical Identifiers
| CAS Number | 4550-12-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N(C)/N=C\2/C(=NOC2=O)C |
Product Overview
3-Methyl-4-(N,4-dimethylphenylhydrazono)isoxazole-5-one (CAS 4550-12-3), with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol. IUPAC: (4Z)-3-methyl-4-[methyl-(4-methylphenyl)hydrazinylidene]-1,2-oxazol-5-one.
Chemical Property Profile of 3-Methyl-4-(N,4-dimethylphenylhydrazono)isoxazole-5-one
Property Insights of 3-Methyl-4-(N,4-dimethylphenylhydrazono)isoxazole-5-one
The XLogP value of 1.71992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-4-(N,4-dimethylphenylhydrazono)isoxazole-5-one. With a topological polar surface area (TPSA) of 54.26 Ų, 3-Methyl-4-(N,4-dimethylphenylhydrazono)isoxazole-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-4-(N,4-dimethylphenylhydrazono)isoxazole-5-one 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
Frequently Asked Questions
What is the CAS number of 3-Methyl-4-(N,4-dimethylphenylhydrazono)isoxazole-5-one?
The CAS number of 3-Methyl-4-(N,4-dimethylphenylhydrazono)isoxazole-5-one is 4550-12-3.
What is the molecular formula of 3-Methyl-4-(N,4-dimethylphenylhydrazono)isoxazole-5-one?
The molecular formula of 3-Methyl-4-(N,4-dimethylphenylhydrazono)isoxazole-5-one is C12H13N3O2.
What is the molecular weight of 3-Methyl-4-(N,4-dimethylphenylhydrazono)isoxazole-5-one?
The molecular weight of 3-Methyl-4-(N,4-dimethylphenylhydrazono)isoxazole-5-one is 231.10 g/mol.
Where can I buy 3-Methyl-4-(N,4-dimethylphenylhydrazono)isoxazole-5-one?
You can request a quote for 3-Methyl-4-(N,4-dimethylphenylhydrazono)isoxazole-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-(N,4-dimethylphenylhydrazono)isoxazole-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-(N,4-dimethylphenylhydrazono)isoxazole-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.