(Z)-7-((butyl(methyl)amino)methyl)-6-hydroxy-2-(3-nitrobenzylidene)benzofuran-3(2H)-one
TL;DR: (Z)-7-((butyl(methyl)amino)methyl)-6-hydroxy-2-(3-nitrobenzylidene)benzofuran-3(2H)-one (CAS 1178096-74-6) is a chemical compound with molecular formula C21H22N2O5 and molecular weight 382.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-7-[[butyl(methyl)amino]methyl]-6-hydroxy-2-[(3-nitrophenyl)methylidene]-1-benzofuran-3-one
Also Known As: (Z)-7-((butyl(methyl)amino)methyl)-6-hydroxy-2-(3-nitrobenzylidene)benzofuran-3(2H)-one, 7-[(butyl-methyl-amino)methyl]-6-hydroxy-2-[(3-nitrophenyl)methylidene]benzofuran-3-one, 7-[(butylmethylamino)methyl]-6-hydroxy-2-[(3-nitrophenyl)methylene]benzo[b]fur an-3-one, (2Z)-7-[[butyl(methyl)amino]methyl]-6-hydroxy-2-[(3-nitrophenyl)methylidene]-1-benzofuran-3-one, (2Z)-7-{[butyl(methyl)amino]methyl}-6-hydroxy-2-(3-nitrobenzylidene)-1-benzofuran-3(2H)-one
| Molecular Formula | C21H22N2O5 |
|---|---|
| Molecular Weight | 382.15 g/mol |
| LogP | 4.1485 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.15286 |
| Heavy Atoms | 28 |
| Complexity | 951.8073 |
Chemical Identifiers
| CAS Number | 1178096-74-6 |
|---|---|
| SMILES | CCCCN(C)CC1=C(C=CC2=C1O/C(=C\C3=CC(=CC=C3)[N+](=O)[O-])/C2=O)O |
Product Overview
(Z)-7-((butyl(methyl)amino)methyl)-6-hydroxy-2-(3-nitrobenzylidene)benzofuran-3(2H)-one (CAS 1178096-74-6), with molecular formula C21H22N2O5 and molecular weight 382.15 g/mol. IUPAC: (2Z)-7-[[butyl(methyl)amino]methyl]-6-hydroxy-2-[(3-nitrophenyl)methylidene]-1-benzofuran-3-one.
Chemical Property Profile of (Z)-7-((butyl(methyl)amino)methyl)-6-hydroxy-2-(3-nitrobenzylidene)benzofuran-3(2H)-one
Property Insights of (Z)-7-((butyl(methyl)amino)methyl)-6-hydroxy-2-(3-nitrobenzylidene)benzofuran-3(2H)-one
The XLogP value of 4.1485 indicates that (Z)-7-((butyl(methyl)amino)methyl)-6-hydroxy-2-(3-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-((butyl(methyl)amino)methyl)-6-hydroxy-2-(3-nitrobenzylidene)benzofuran-3(2H)-one. Following Lipinski's Rule of Five, (Z)-7-((butyl(methyl)amino)methyl)-6-hydroxy-2-(3-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-((butyl(methyl)amino)methyl)-6-hydroxy-2-(3-nitrobenzylidene)benzofuran-3(2H)-one?
The CAS number of (Z)-7-((butyl(methyl)amino)methyl)-6-hydroxy-2-(3-nitrobenzylidene)benzofuran-3(2H)-one is 1178096-74-6.
What is the molecular formula of (Z)-7-((butyl(methyl)amino)methyl)-6-hydroxy-2-(3-nitrobenzylidene)benzofuran-3(2H)-one?
The molecular formula of (Z)-7-((butyl(methyl)amino)methyl)-6-hydroxy-2-(3-nitrobenzylidene)benzofuran-3(2H)-one is C21H22N2O5.
What is the molecular weight of (Z)-7-((butyl(methyl)amino)methyl)-6-hydroxy-2-(3-nitrobenzylidene)benzofuran-3(2H)-one?
The molecular weight of (Z)-7-((butyl(methyl)amino)methyl)-6-hydroxy-2-(3-nitrobenzylidene)benzofuran-3(2H)-one is 382.15 g/mol.
Where can I buy (Z)-7-((butyl(methyl)amino)methyl)-6-hydroxy-2-(3-nitrobenzylidene)benzofuran-3(2H)-one?
You can request a quote for (Z)-7-((butyl(methyl)amino)methyl)-6-hydroxy-2-(3-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-((butyl(methyl)amino)methyl)-6-hydroxy-2-(3-nitrobenzylidene)benzofuran-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-7-((butyl(methyl)amino)methyl)-6-hydroxy-2-(3-nitrobenzylidene)benzofuran-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.