4-{3-nitrobenzylidene}-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one
TL;DR: 4-{3-nitrobenzylidene}-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one (CAS 1236002-56-4) is a chemical compound with molecular formula C16H9N3O6 and molecular weight 339.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-2-(4-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5-one
Also Known As: 4-{3-nitrobenzylidene}-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one, (4Z)-2-(4-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5-one, (4Z)-2-(4-NITROPHENYL)-4-[(3-NITROPHENYL)METHYLIDENE]-4,5-DIHYDRO-1,3-OXAZOL-5-ONE
| Molecular Formula | C16H9N3O6 |
|---|---|
| Molecular Weight | 339.05 g/mol |
| LogP | 2.8475 |
| Topological Polar Surface Area | 124.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.04913 |
| Heavy Atoms | 25 |
| Complexity | 946.59735 |
Chemical Identifiers
| CAS Number | 1236002-56-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])/C=C\2/C(=O)OC(=N2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-{3-nitrobenzylidene}-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one (CAS 1236002-56-4), with molecular formula C16H9N3O6 and molecular weight 339.05 g/mol. IUPAC: (4Z)-2-(4-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5-one.
Chemical Property Profile of 4-{3-nitrobenzylidene}-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one
Property Insights of 4-{3-nitrobenzylidene}-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one
The XLogP value of 2.8475 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{3-nitrobenzylidene}-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one. The TPSA of 124.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{3-nitrobenzylidene}-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one. Following Lipinski's Rule of Five, 4-{3-nitrobenzylidene}-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one has 0 hydrogen bond donor(s) and 7 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-{3-nitrobenzylidene}-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one?
The CAS number of 4-{3-nitrobenzylidene}-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one is 1236002-56-4.
What is the molecular formula of 4-{3-nitrobenzylidene}-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one?
The molecular formula of 4-{3-nitrobenzylidene}-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one is C16H9N3O6.
What is the molecular weight of 4-{3-nitrobenzylidene}-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one?
The molecular weight of 4-{3-nitrobenzylidene}-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one is 339.05 g/mol.
Where can I buy 4-{3-nitrobenzylidene}-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one?
You can request a quote for 4-{3-nitrobenzylidene}-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-{3-nitrobenzylidene}-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-{3-nitrobenzylidene}-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.