3-{2-nitrophenyl}-1-phenyl-2-propen-1-one O-{4-nitrobenzoyl}oxime
TL;DR: 3-{2-nitrophenyl}-1-phenyl-2-propen-1-one O-{4-nitrobenzoyl}oxime (CAS 299406-60-3) is a chemical compound with molecular formula C22H15N3O6 and molecular weight 417.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino] 4-nitrobenzoate
Also Known As: 3-{2-nitrophenyl}-1-phenyl-2-propen-1-one O-{4-nitrobenzoyl}oxime, (4-nitrophenyl)({[(1Z,2E)-3-(2-nitrophenyl)-1-phenylprop-2-en-1-ylidene]amino}oxy)methanone, [(Z)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino] 4-nitrobenzoate, (1Z,3E)-4-(2-nitrophenyl)-2-phenyl-1-azabuta-1,3-dienyl 4-nitrobenzoate
| Molecular Formula | C22H15N3O6 |
|---|---|
| Molecular Weight | 417.10 g/mol |
| LogP | 4.7775 |
| Topological Polar Surface Area | 124.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.0961 |
| Heavy Atoms | 31 |
| Complexity | 1171.3654 |
Chemical Identifiers
| CAS Number | 299406-60-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C(=N\OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])/C=C/C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
3-{2-nitrophenyl}-1-phenyl-2-propen-1-one O-{4-nitrobenzoyl}oxime (CAS 299406-60-3), with molecular formula C22H15N3O6 and molecular weight 417.10 g/mol. IUPAC: [(Z)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino] 4-nitrobenzoate.
Chemical Property Profile of 3-{2-nitrophenyl}-1-phenyl-2-propen-1-one O-{4-nitrobenzoyl}oxime
Property Insights of 3-{2-nitrophenyl}-1-phenyl-2-propen-1-one O-{4-nitrobenzoyl}oxime
The XLogP value of 4.7775 indicates that 3-{2-nitrophenyl}-1-phenyl-2-propen-1-one O-{4-nitrobenzoyl}oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{2-nitrophenyl}-1-phenyl-2-propen-1-one O-{4-nitrobenzoyl}oxime. Following Lipinski's Rule of Five, 3-{2-nitrophenyl}-1-phenyl-2-propen-1-one O-{4-nitrobenzoyl}oxime 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 3-{2-nitrophenyl}-1-phenyl-2-propen-1-one O-{4-nitrobenzoyl}oxime?
The CAS number of 3-{2-nitrophenyl}-1-phenyl-2-propen-1-one O-{4-nitrobenzoyl}oxime is 299406-60-3.
What is the molecular formula of 3-{2-nitrophenyl}-1-phenyl-2-propen-1-one O-{4-nitrobenzoyl}oxime?
The molecular formula of 3-{2-nitrophenyl}-1-phenyl-2-propen-1-one O-{4-nitrobenzoyl}oxime is C22H15N3O6.
What is the molecular weight of 3-{2-nitrophenyl}-1-phenyl-2-propen-1-one O-{4-nitrobenzoyl}oxime?
The molecular weight of 3-{2-nitrophenyl}-1-phenyl-2-propen-1-one O-{4-nitrobenzoyl}oxime is 417.10 g/mol.
Where can I buy 3-{2-nitrophenyl}-1-phenyl-2-propen-1-one O-{4-nitrobenzoyl}oxime?
You can request a quote for 3-{2-nitrophenyl}-1-phenyl-2-propen-1-one O-{4-nitrobenzoyl}oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{2-nitrophenyl}-1-phenyl-2-propen-1-one O-{4-nitrobenzoyl}oxime?
Yes, KEHONG BIO provides custom synthesis services for 3-{2-nitrophenyl}-1-phenyl-2-propen-1-one O-{4-nitrobenzoyl}oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.