3-{3-nitrophenyl}-4-(2-methoxybenzylidene)-5(4H)-isoxazolone
TL;DR: 3-{3-nitrophenyl}-4-(2-methoxybenzylidene)-5(4H)-isoxazolone (CAS 360764-22-3) is a chemical compound with molecular formula C17H12N2O5 and molecular weight 324.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-[(2-methoxyphenyl)methylidene]-3-(3-nitrophenyl)-1,2-oxazol-5-one
Also Known As: 3-{3-nitrophenyl}-4-(2-methoxybenzylidene)-5(4H)-isoxazolone, (4Z)-4-[(2-methoxyphenyl)methylidene]-3-(3-nitrophenyl)-1,2-oxazol-5-one, (4Z)-4-[(2-METHOXYPHENYL)METHYLIDENE]-3-(3-NITROPHENYL)-4,5-DIHYDRO-1,2-OXAZOL-5-ONE
| Molecular Formula | C17H12N2O5 |
|---|---|
| Molecular Weight | 324.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.07462 |
| Heavy Atoms | 24 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 360764-22-3 |
|---|---|
| SMILES | COC1=CC=CC=C1/C=C\2/C(=NOC2=O)C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | ZOKDGULZBKVCIE-UVTDQMKNSA-N |
Product Overview
3-{3-nitrophenyl}-4-(2-methoxybenzylidene)-5(4H)-isoxazolone (CAS 360764-22-3), with molecular formula C17H12N2O5 and molecular weight 324.07 g/mol. IUPAC: (4Z)-4-[(2-methoxyphenyl)methylidene]-3-(3-nitrophenyl)-1,2-oxazol-5-one.
Chemical Property Profile of 3-{3-nitrophenyl}-4-(2-methoxybenzylidene)-5(4H)-isoxazolone
Property Insights of 3-{3-nitrophenyl}-4-(2-methoxybenzylidene)-5(4H)-isoxazolone
The XLogP value of 3.7 indicates that 3-{3-nitrophenyl}-4-(2-methoxybenzylidene)-5(4H)-isoxazolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{3-nitrophenyl}-4-(2-methoxybenzylidene)-5(4H)-isoxazolone. Following Lipinski's Rule of Five, 3-{3-nitrophenyl}-4-(2-methoxybenzylidene)-5(4H)-isoxazolone has 0 hydrogen bond donor(s) and 6 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-{3-nitrophenyl}-4-(2-methoxybenzylidene)-5(4H)-isoxazolone?
The CAS number of 3-{3-nitrophenyl}-4-(2-methoxybenzylidene)-5(4H)-isoxazolone is 360764-22-3.
What is the molecular formula of 3-{3-nitrophenyl}-4-(2-methoxybenzylidene)-5(4H)-isoxazolone?
The molecular formula of 3-{3-nitrophenyl}-4-(2-methoxybenzylidene)-5(4H)-isoxazolone is C17H12N2O5.
What is the molecular weight of 3-{3-nitrophenyl}-4-(2-methoxybenzylidene)-5(4H)-isoxazolone?
The molecular weight of 3-{3-nitrophenyl}-4-(2-methoxybenzylidene)-5(4H)-isoxazolone is 324.07 g/mol.
Where can I buy 3-{3-nitrophenyl}-4-(2-methoxybenzylidene)-5(4H)-isoxazolone?
You can request a quote for 3-{3-nitrophenyl}-4-(2-methoxybenzylidene)-5(4H)-isoxazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{3-nitrophenyl}-4-(2-methoxybenzylidene)-5(4H)-isoxazolone?
Yes, KEHONG BIO provides custom synthesis services for 3-{3-nitrophenyl}-4-(2-methoxybenzylidene)-5(4H)-isoxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.