4-(4-{2,4-bisnitrophenoxy}benzylidene)-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one
TL;DR: 4-(4-{2,4-bisnitrophenoxy}benzylidene)-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one (CAS 331667-90-4) is a chemical compound with molecular formula C22H12N4O9 and molecular weight 476.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
Also Known As: BAS 00387552, 4-(4-{2,4-bisnitrophenoxy}benzylidene)-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one, (4Z)-4-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one, 4-[4-(2,4-Dinitro-phenoxy)-benzylidene]-2-(4-nitro-phenyl)-4H-oxazol-5-one
| Molecular Formula | C22H12N4O9 |
|---|---|
| Molecular Weight | 476.06 g/mol |
| LogP | 4.548 |
| Topological Polar Surface Area | 177.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.06042 |
| Heavy Atoms | 35 |
| Complexity | 1428.2854 |
Chemical Identifiers
| CAS Number | 331667-90-4 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C\2/C(=O)OC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4-(4-{2,4-bisnitrophenoxy}benzylidene)-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one (CAS 331667-90-4), with molecular formula C22H12N4O9 and molecular weight 476.06 g/mol. IUPAC: (4Z)-4-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one.
Chemical Property Profile of 4-(4-{2,4-bisnitrophenoxy}benzylidene)-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one
Property Insights of 4-(4-{2,4-bisnitrophenoxy}benzylidene)-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one
The XLogP value of 4.548 indicates that 4-(4-{2,4-bisnitrophenoxy}benzylidene)-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 177.31 Ų indicates high polarity, suggesting 4-(4-{2,4-bisnitrophenoxy}benzylidene)-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(4-{2,4-bisnitrophenoxy}benzylidene)-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one has 0 hydrogen bond donor(s) and 10 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-(4-{2,4-bisnitrophenoxy}benzylidene)-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one?
The CAS number of 4-(4-{2,4-bisnitrophenoxy}benzylidene)-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one is 331667-90-4.
What is the molecular formula of 4-(4-{2,4-bisnitrophenoxy}benzylidene)-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one?
The molecular formula of 4-(4-{2,4-bisnitrophenoxy}benzylidene)-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one is C22H12N4O9.
What is the molecular weight of 4-(4-{2,4-bisnitrophenoxy}benzylidene)-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one?
The molecular weight of 4-(4-{2,4-bisnitrophenoxy}benzylidene)-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one is 476.06 g/mol.
Where can I buy 4-(4-{2,4-bisnitrophenoxy}benzylidene)-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one?
You can request a quote for 4-(4-{2,4-bisnitrophenoxy}benzylidene)-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-{2,4-bisnitrophenoxy}benzylidene)-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-{2,4-bisnitrophenoxy}benzylidene)-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.