(Z)-2-(tert-butyl)-4-(2-nitrobenzylidene)oxazol-5(4H)-one
TL;DR: (Z)-2-(tert-butyl)-4-(2-nitrobenzylidene)oxazol-5(4H)-one (CAS 538339-01-4) is a chemical compound with molecular formula C14H14N2O4 and molecular weight 274.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-2-tert-butyl-4-[(2-nitrophenyl)methylidene]-1,3-oxazol-5-one
Also Known As: F1258-0048, (Z)-2-(tert-butyl)-4-(2-nitrobenzylidene)oxazol-5(4H)-one, (4Z)-2-tert-butyl-4-[(2-nitrophenyl)methylidene]-1,3-oxazol-5-one, (4Z)-2-tert-butyl-4-[(2-nitrophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one, (Z)-2-tert-butyl-4-[(o-nitrophenyl)methylene]-1,3-oxazol-5(4H)-one
| Molecular Formula | C14H14N2O4 |
|---|---|
| Molecular Weight | 274.10 g/mol |
| LogP | 2.9371 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.09537 |
| Heavy Atoms | 20 |
| Complexity | 638.81915 |
Chemical Identifiers
| CAS Number | 538339-01-4 |
|---|---|
| SMILES | CC(C)(C)C1=N/C(=C\C2=CC=CC=C2[N+](=O)[O-])/C(=O)O1 |
Product Overview
(Z)-2-(tert-butyl)-4-(2-nitrobenzylidene)oxazol-5(4H)-one (CAS 538339-01-4), with molecular formula C14H14N2O4 and molecular weight 274.10 g/mol. IUPAC: (4Z)-2-tert-butyl-4-[(2-nitrophenyl)methylidene]-1,3-oxazol-5-one.
Chemical Property Profile of (Z)-2-(tert-butyl)-4-(2-nitrobenzylidene)oxazol-5(4H)-one
Property Insights of (Z)-2-(tert-butyl)-4-(2-nitrobenzylidene)oxazol-5(4H)-one
The XLogP value of 2.9371 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-2-(tert-butyl)-4-(2-nitrobenzylidene)oxazol-5(4H)-one. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(tert-butyl)-4-(2-nitrobenzylidene)oxazol-5(4H)-one. Following Lipinski's Rule of Five, (Z)-2-(tert-butyl)-4-(2-nitrobenzylidene)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 (Z)-2-(tert-butyl)-4-(2-nitrobenzylidene)oxazol-5(4H)-one?
The CAS number of (Z)-2-(tert-butyl)-4-(2-nitrobenzylidene)oxazol-5(4H)-one is 538339-01-4.
What is the molecular formula of (Z)-2-(tert-butyl)-4-(2-nitrobenzylidene)oxazol-5(4H)-one?
The molecular formula of (Z)-2-(tert-butyl)-4-(2-nitrobenzylidene)oxazol-5(4H)-one is C14H14N2O4.
What is the molecular weight of (Z)-2-(tert-butyl)-4-(2-nitrobenzylidene)oxazol-5(4H)-one?
The molecular weight of (Z)-2-(tert-butyl)-4-(2-nitrobenzylidene)oxazol-5(4H)-one is 274.10 g/mol.
Where can I buy (Z)-2-(tert-butyl)-4-(2-nitrobenzylidene)oxazol-5(4H)-one?
You can request a quote for (Z)-2-(tert-butyl)-4-(2-nitrobenzylidene)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 (Z)-2-(tert-butyl)-4-(2-nitrobenzylidene)oxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(tert-butyl)-4-(2-nitrobenzylidene)oxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.