![2-(4-Chlorophenyl)-4-[[4-[(3-nitrobenzoyl)oxy]phenyl]methylene]-5(4H)-oxazolone structure](/static/products/3318/331828-46-7.webp)
2-(4-Chlorophenyl)-4-[[4-[(3-nitrobenzoyl)oxy]phenyl]methylene]-5(4H)-oxazolone
TL;DR: 2-(4-Chlorophenyl)-4-[[4-[(3-nitrobenzoyl)oxy]phenyl]methylene]-5(4H)-oxazolone (CAS 331828-46-7) is a chemical compound with molecular formula C23H13ClN2O6 and molecular weight 448.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[2-(4-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 3-nitrobenzoate
Also Known As: BAS 00602771, 2-(4-Chlorophenyl)-4-[[4-[(3-nitrobenzoyl)oxy]phenyl]methylene]-5(4H)-oxazolone, [4-[[2-(4-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 3-nitrobenzoate, 4-{[2-(4-Chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 3-nitrobenzoate
| Molecular Formula | C23H13ClN2O6 |
|---|---|
| Molecular Weight | 448.05 g/mol |
| LogP | 4.8119 |
| Topological Polar Surface Area | 108.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.0462 |
| Heavy Atoms | 32 |
| Complexity | 1280.5986 |
Chemical Identifiers
| CAS Number | 331828-46-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C=C3C(=O)OC(=N3)C4=CC=C(C=C4)Cl |
Product Overview
2-(4-Chlorophenyl)-4-[[4-[(3-nitrobenzoyl)oxy]phenyl]methylene]-5(4H)-oxazolone (CAS 331828-46-7), with molecular formula C23H13ClN2O6 and molecular weight 448.05 g/mol. IUPAC: [4-[[2-(4-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 3-nitrobenzoate.
Chemical Property Profile of 2-(4-Chlorophenyl)-4-[[4-[(3-nitrobenzoyl)oxy]phenyl]methylene]-5(4H)-oxazolone
Property Insights of 2-(4-Chlorophenyl)-4-[[4-[(3-nitrobenzoyl)oxy]phenyl]methylene]-5(4H)-oxazolone
The XLogP value of 4.8119 indicates that 2-(4-Chlorophenyl)-4-[[4-[(3-nitrobenzoyl)oxy]phenyl]methylene]-5(4H)-oxazolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Chlorophenyl)-4-[[4-[(3-nitrobenzoyl)oxy]phenyl]methylene]-5(4H)-oxazolone. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-4-[[4-[(3-nitrobenzoyl)oxy]phenyl]methylene]-5(4H)-oxazolone 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 2-(4-Chlorophenyl)-4-[[4-[(3-nitrobenzoyl)oxy]phenyl]methylene]-5(4H)-oxazolone?
The CAS number of 2-(4-Chlorophenyl)-4-[[4-[(3-nitrobenzoyl)oxy]phenyl]methylene]-5(4H)-oxazolone is 331828-46-7.
What is the molecular formula of 2-(4-Chlorophenyl)-4-[[4-[(3-nitrobenzoyl)oxy]phenyl]methylene]-5(4H)-oxazolone?
The molecular formula of 2-(4-Chlorophenyl)-4-[[4-[(3-nitrobenzoyl)oxy]phenyl]methylene]-5(4H)-oxazolone is C23H13ClN2O6.
What is the molecular weight of 2-(4-Chlorophenyl)-4-[[4-[(3-nitrobenzoyl)oxy]phenyl]methylene]-5(4H)-oxazolone?
The molecular weight of 2-(4-Chlorophenyl)-4-[[4-[(3-nitrobenzoyl)oxy]phenyl]methylene]-5(4H)-oxazolone is 448.05 g/mol.
Where can I buy 2-(4-Chlorophenyl)-4-[[4-[(3-nitrobenzoyl)oxy]phenyl]methylene]-5(4H)-oxazolone?
You can request a quote for 2-(4-Chlorophenyl)-4-[[4-[(3-nitrobenzoyl)oxy]phenyl]methylene]-5(4H)-oxazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)-4-[[4-[(3-nitrobenzoyl)oxy]phenyl]methylene]-5(4H)-oxazolone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-4-[[4-[(3-nitrobenzoyl)oxy]phenyl]methylene]-5(4H)-oxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.