3-Methyl-4-nitro-5-(4-methylstyryl)isoxazole
TL;DR: 3-Methyl-4-nitro-5-(4-methylstyryl)isoxazole (CAS 75143-79-2) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-4-nitro-1,2-oxazole
Also Known As: 3-Methyl-4-nitro-5-(4-methylstyryl)isoxazole, 3-Methyl-5-(4-methylstyryl)-4-nitroisoxazole, J2.467.734F, J3.081.129A, 4-nitro-3-methyl-5-[2-(4-methylphenyl)vinyl]isoxazole
| Molecular Formula | C13H12N2O3 |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 3.37004 |
| Topological Polar Surface Area | 69.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.0848 |
| Heavy Atoms | 18 |
| Complexity | 597.199 |
Chemical Identifiers
| CAS Number | 75143-79-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C/C2=C(C(=NO2)C)[N+](=O)[O-] |
Product Overview
3-Methyl-4-nitro-5-(4-methylstyryl)isoxazole (CAS 75143-79-2), with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol. IUPAC: 3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-4-nitro-1,2-oxazole.
Chemical Property Profile of 3-Methyl-4-nitro-5-(4-methylstyryl)isoxazole
Property Insights of 3-Methyl-4-nitro-5-(4-methylstyryl)isoxazole
The XLogP value of 3.37004 indicates that 3-Methyl-4-nitro-5-(4-methylstyryl)isoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-4-nitro-5-(4-methylstyryl)isoxazole. Following Lipinski's Rule of Five, 3-Methyl-4-nitro-5-(4-methylstyryl)isoxazole has 0 hydrogen bond donor(s) and 4 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-nitro-5-(4-methylstyryl)isoxazole?
The CAS number of 3-Methyl-4-nitro-5-(4-methylstyryl)isoxazole is 75143-79-2.
What is the molecular formula of 3-Methyl-4-nitro-5-(4-methylstyryl)isoxazole?
The molecular formula of 3-Methyl-4-nitro-5-(4-methylstyryl)isoxazole is C13H12N2O3.
What is the molecular weight of 3-Methyl-4-nitro-5-(4-methylstyryl)isoxazole?
The molecular weight of 3-Methyl-4-nitro-5-(4-methylstyryl)isoxazole is 244.08 g/mol.
Where can I buy 3-Methyl-4-nitro-5-(4-methylstyryl)isoxazole?
You can request a quote for 3-Methyl-4-nitro-5-(4-methylstyryl)isoxazole 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-nitro-5-(4-methylstyryl)isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-nitro-5-(4-methylstyryl)isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.