2-{2-chloro-4-nitrophenyl}-4-(3-fluorobenzylidene)-1,3-oxazol-5(4H)-one
TL;DR: 2-{2-chloro-4-nitrophenyl}-4-(3-fluorobenzylidene)-1,3-oxazol-5(4H)-one (CAS 313265-09-7) is a chemical compound with molecular formula C16H8ClFN2O4 and molecular weight 346.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-2-(2-chloro-4-nitrophenyl)-4-[(3-fluorophenyl)methylidene]-1,3-oxazol-5-one
Also Known As: BAS 00672377, 2-{2-chloro-4-nitrophenyl}-4-(3-fluorobenzylidene)-1,3-oxazol-5(4H)-one, 2-(2-Chloro-4-nitro-phenyl)-4-(3-fluoro-benzylidene)-4H-oxazol-5-one, (4Z)-2-(2-chloro-4-nitrophenyl)-4-[(3-fluorophenyl)methylidene]-1,3-oxazol-5-one, (4Z)-2-(2-chloro-4-nitrophenyl)-4-[(3-fluorophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
| Molecular Formula | C16H8ClFN2O4 |
|---|---|
| Molecular Weight | 346.02 g/mol |
| LogP | 3.7318 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.01566 |
| Heavy Atoms | 24 |
| Complexity | 924.04346 |
Chemical Identifiers
| CAS Number | 313265-09-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)/C=C\2/C(=O)OC(=N2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
2-{2-chloro-4-nitrophenyl}-4-(3-fluorobenzylidene)-1,3-oxazol-5(4H)-one (CAS 313265-09-7), with molecular formula C16H8ClFN2O4 and molecular weight 346.02 g/mol. IUPAC: (4Z)-2-(2-chloro-4-nitrophenyl)-4-[(3-fluorophenyl)methylidene]-1,3-oxazol-5-one.
Chemical Property Profile of 2-{2-chloro-4-nitrophenyl}-4-(3-fluorobenzylidene)-1,3-oxazol-5(4H)-one
Property Insights of 2-{2-chloro-4-nitrophenyl}-4-(3-fluorobenzylidene)-1,3-oxazol-5(4H)-one
The XLogP value of 3.7318 indicates that 2-{2-chloro-4-nitrophenyl}-4-(3-fluorobenzylidene)-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 2-{2-chloro-4-nitrophenyl}-4-(3-fluorobenzylidene)-1,3-oxazol-5(4H)-one. Following Lipinski's Rule of Five, 2-{2-chloro-4-nitrophenyl}-4-(3-fluorobenzylidene)-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 2-{2-chloro-4-nitrophenyl}-4-(3-fluorobenzylidene)-1,3-oxazol-5(4H)-one?
The CAS number of 2-{2-chloro-4-nitrophenyl}-4-(3-fluorobenzylidene)-1,3-oxazol-5(4H)-one is 313265-09-7.
What is the molecular formula of 2-{2-chloro-4-nitrophenyl}-4-(3-fluorobenzylidene)-1,3-oxazol-5(4H)-one?
The molecular formula of 2-{2-chloro-4-nitrophenyl}-4-(3-fluorobenzylidene)-1,3-oxazol-5(4H)-one is C16H8ClFN2O4.
What is the molecular weight of 2-{2-chloro-4-nitrophenyl}-4-(3-fluorobenzylidene)-1,3-oxazol-5(4H)-one?
The molecular weight of 2-{2-chloro-4-nitrophenyl}-4-(3-fluorobenzylidene)-1,3-oxazol-5(4H)-one is 346.02 g/mol.
Where can I buy 2-{2-chloro-4-nitrophenyl}-4-(3-fluorobenzylidene)-1,3-oxazol-5(4H)-one?
You can request a quote for 2-{2-chloro-4-nitrophenyl}-4-(3-fluorobenzylidene)-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 2-{2-chloro-4-nitrophenyl}-4-(3-fluorobenzylidene)-1,3-oxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-{2-chloro-4-nitrophenyl}-4-(3-fluorobenzylidene)-1,3-oxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.