(Z)-7-((benzyl(methyl)amino)methyl)-6-hydroxy-2-(4-nitrobenzylidene)benzofuran-3(2H)-one
TL;DR: (Z)-7-((benzyl(methyl)amino)methyl)-6-hydroxy-2-(4-nitrobenzylidene)benzofuran-3(2H)-one (CAS 899406-68-9) is a chemical compound with molecular formula C24H20N2O5 and molecular weight 416.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-7-[[benzyl(methyl)amino]methyl]-6-hydroxy-2-[(4-nitrophenyl)methylidene]-1-benzofuran-3-one
Also Known As: (Z)-7-((benzyl(methyl)amino)methyl)-6-hydroxy-2-(4-nitrobenzylidene)benzofuran-3(2H)-one, 6-hydroxy-7-{[methylbenzylamino]methyl}-2-[(4-nitrophenyl)methylene]benzo[b]fu ran-3-one, 7-[(benzyl-methyl-amino)methyl]-6-hydroxy-2-[(4-nitrophenyl)methylidene]benzofuran-3-one, (2Z)-7-[[benzyl(methyl)amino]methyl]-6-hydroxy-2-[(4-nitrophenyl)methylidene]-1-benzofuran-3-one, (2Z)-7-{[benzyl(methyl)amino]methyl}-6-hydroxy-2-(4-nitrobenzylidene)-1-benzofuran-3(2H)-one
| Molecular Formula | C24H20N2O5 |
|---|---|
| Molecular Weight | 416.14 g/mol |
| LogP | 4.5486 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.1372 |
| Heavy Atoms | 31 |
| Complexity | 1170.579 |
Chemical Identifiers
| CAS Number | 899406-68-9 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)CC2=C(C=CC3=C2O/C(=C\C4=CC=C(C=C4)[N+](=O)[O-])/C3=O)O |
Product Overview
(Z)-7-((benzyl(methyl)amino)methyl)-6-hydroxy-2-(4-nitrobenzylidene)benzofuran-3(2H)-one (CAS 899406-68-9), with molecular formula C24H20N2O5 and molecular weight 416.14 g/mol. IUPAC: (2Z)-7-[[benzyl(methyl)amino]methyl]-6-hydroxy-2-[(4-nitrophenyl)methylidene]-1-benzofuran-3-one.
Chemical Property Profile of (Z)-7-((benzyl(methyl)amino)methyl)-6-hydroxy-2-(4-nitrobenzylidene)benzofuran-3(2H)-one
Property Insights of (Z)-7-((benzyl(methyl)amino)methyl)-6-hydroxy-2-(4-nitrobenzylidene)benzofuran-3(2H)-one
The XLogP value of 4.5486 indicates that (Z)-7-((benzyl(methyl)amino)methyl)-6-hydroxy-2-(4-nitrobenzylidene)benzofuran-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-7-((benzyl(methyl)amino)methyl)-6-hydroxy-2-(4-nitrobenzylidene)benzofuran-3(2H)-one. Following Lipinski's Rule of Five, (Z)-7-((benzyl(methyl)amino)methyl)-6-hydroxy-2-(4-nitrobenzylidene)benzofuran-3(2H)-one has 1 hydrogen bond donor(s) and 6 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)-7-((benzyl(methyl)amino)methyl)-6-hydroxy-2-(4-nitrobenzylidene)benzofuran-3(2H)-one?
The CAS number of (Z)-7-((benzyl(methyl)amino)methyl)-6-hydroxy-2-(4-nitrobenzylidene)benzofuran-3(2H)-one is 899406-68-9.
What is the molecular formula of (Z)-7-((benzyl(methyl)amino)methyl)-6-hydroxy-2-(4-nitrobenzylidene)benzofuran-3(2H)-one?
The molecular formula of (Z)-7-((benzyl(methyl)amino)methyl)-6-hydroxy-2-(4-nitrobenzylidene)benzofuran-3(2H)-one is C24H20N2O5.
What is the molecular weight of (Z)-7-((benzyl(methyl)amino)methyl)-6-hydroxy-2-(4-nitrobenzylidene)benzofuran-3(2H)-one?
The molecular weight of (Z)-7-((benzyl(methyl)amino)methyl)-6-hydroxy-2-(4-nitrobenzylidene)benzofuran-3(2H)-one is 416.14 g/mol.
Where can I buy (Z)-7-((benzyl(methyl)amino)methyl)-6-hydroxy-2-(4-nitrobenzylidene)benzofuran-3(2H)-one?
You can request a quote for (Z)-7-((benzyl(methyl)amino)methyl)-6-hydroxy-2-(4-nitrobenzylidene)benzofuran-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-7-((benzyl(methyl)amino)methyl)-6-hydroxy-2-(4-nitrobenzylidene)benzofuran-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-7-((benzyl(methyl)amino)methyl)-6-hydroxy-2-(4-nitrobenzylidene)benzofuran-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.