4-(4-isopropyl-3-nitrobenzylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one
TL;DR: 4-(4-isopropyl-3-nitrobenzylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one (CAS 5738-60-3) is a chemical compound with molecular formula C20H18N2O4 and molecular weight 350.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-2-(4-methylphenyl)-4-[(3-nitro-4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
Also Known As: 4-(4-isopropyl-3-nitrobenzylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one, (4E)-2-(4-methylphenyl)-4-[(3-nitro-4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
| Molecular Formula | C20H18N2O4 |
|---|---|
| Molecular Weight | 350.13 g/mol |
| LogP | 4.37112 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.12665 |
| Heavy Atoms | 26 |
| Complexity | 940.78357 |
Chemical Identifiers
| CAS Number | 5738-60-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=N/C(=C/C3=CC(=C(C=C3)C(C)C)[N+](=O)[O-])/C(=O)O2 |
Product Overview
4-(4-isopropyl-3-nitrobenzylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one (CAS 5738-60-3), with molecular formula C20H18N2O4 and molecular weight 350.13 g/mol. IUPAC: (4E)-2-(4-methylphenyl)-4-[(3-nitro-4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one.
Chemical Property Profile of 4-(4-isopropyl-3-nitrobenzylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one
Property Insights of 4-(4-isopropyl-3-nitrobenzylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one
The XLogP value of 4.37112 indicates that 4-(4-isopropyl-3-nitrobenzylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-isopropyl-3-nitrobenzylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one. Following Lipinski's Rule of Five, 4-(4-isopropyl-3-nitrobenzylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one has 0 hydrogen bond donor(s) and 5 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-isopropyl-3-nitrobenzylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one?
The CAS number of 4-(4-isopropyl-3-nitrobenzylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one is 5738-60-3.
What is the molecular formula of 4-(4-isopropyl-3-nitrobenzylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one?
The molecular formula of 4-(4-isopropyl-3-nitrobenzylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one is C20H18N2O4.
What is the molecular weight of 4-(4-isopropyl-3-nitrobenzylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one?
The molecular weight of 4-(4-isopropyl-3-nitrobenzylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one is 350.13 g/mol.
Where can I buy 4-(4-isopropyl-3-nitrobenzylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one?
You can request a quote for 4-(4-isopropyl-3-nitrobenzylidene)-2-(4-methylphenyl)-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-isopropyl-3-nitrobenzylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-isopropyl-3-nitrobenzylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.