5-((1E)-2-(4-Chlorophenyl)ethenyl)-3-methyl-4-nitroisoxazole
TL;DR: 5-((1E)-2-(4-Chlorophenyl)ethenyl)-3-methyl-4-nitroisoxazole (CAS 51978-97-3) is a chemical compound with molecular formula C12H9ClN2O3 and molecular weight 264.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
Also Known As: 5-(4-chlorostyryl)-3-methyl-4-nitroisoxazole, J2.467.736B, J2.980.074J, 3-Methyl-4-nitro-5-(4-chlorostyryl)isoxazole, 5-[(1E)-2-(4-Chlorophenyl)ethenyl]-3-methyl-4-nitroisoxazole
| Molecular Formula | C12H9ClN2O3 |
|---|---|
| Molecular Weight | 264.03 g/mol |
| LogP | 3.71502 |
| Topological Polar Surface Area | 69.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.03018 |
| Heavy Atoms | 18 |
| Complexity | 602.28516 |
Chemical Identifiers
| CAS Number | 51978-97-3 |
|---|---|
| SMILES | CC1=NOC(=C1[N+](=O)[O-])/C=C/C2=CC=C(C=C2)Cl |
Product Overview
5-((1E)-2-(4-Chlorophenyl)ethenyl)-3-methyl-4-nitroisoxazole (CAS 51978-97-3), with molecular formula C12H9ClN2O3 and molecular weight 264.03 g/mol. IUPAC: 5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole.
Chemical Property Profile of 5-((1E)-2-(4-Chlorophenyl)ethenyl)-3-methyl-4-nitroisoxazole
Property Insights of 5-((1E)-2-(4-Chlorophenyl)ethenyl)-3-methyl-4-nitroisoxazole
The XLogP value of 3.71502 indicates that 5-((1E)-2-(4-Chlorophenyl)ethenyl)-3-methyl-4-nitroisoxazole 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 5-((1E)-2-(4-Chlorophenyl)ethenyl)-3-methyl-4-nitroisoxazole. Following Lipinski's Rule of Five, 5-((1E)-2-(4-Chlorophenyl)ethenyl)-3-methyl-4-nitroisoxazole 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 5-((1E)-2-(4-Chlorophenyl)ethenyl)-3-methyl-4-nitroisoxazole?
The CAS number of 5-((1E)-2-(4-Chlorophenyl)ethenyl)-3-methyl-4-nitroisoxazole is 51978-97-3.
What is the molecular formula of 5-((1E)-2-(4-Chlorophenyl)ethenyl)-3-methyl-4-nitroisoxazole?
The molecular formula of 5-((1E)-2-(4-Chlorophenyl)ethenyl)-3-methyl-4-nitroisoxazole is C12H9ClN2O3.
What is the molecular weight of 5-((1E)-2-(4-Chlorophenyl)ethenyl)-3-methyl-4-nitroisoxazole?
The molecular weight of 5-((1E)-2-(4-Chlorophenyl)ethenyl)-3-methyl-4-nitroisoxazole is 264.03 g/mol.
Where can I buy 5-((1E)-2-(4-Chlorophenyl)ethenyl)-3-methyl-4-nitroisoxazole?
You can request a quote for 5-((1E)-2-(4-Chlorophenyl)ethenyl)-3-methyl-4-nitroisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((1E)-2-(4-Chlorophenyl)ethenyl)-3-methyl-4-nitroisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-((1E)-2-(4-Chlorophenyl)ethenyl)-3-methyl-4-nitroisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.