(Z)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-2-(4-nitrobenzylidene)benzofuran-3(2H)-one
TL;DR: (Z)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-2-(4-nitrobenzylidene)benzofuran-3(2H)-one (CAS 896835-58-8) is a chemical compound with molecular formula C21H21N3O5 and molecular weight 395.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-2-[(4-nitrophenyl)methylidene]-1-benzofuran-3-one
Also Known As: (Z)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-2-(4-nitrobenzylidene)benzofuran-3(2H)-one, F3385-2745, (2Z)-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-2-[(4-nitrophenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one, (2Z)-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-2-[(4-nitrophenyl)methylidene]-1-benzofuran-3-one, 6-hydroxy-7-[(4-methylpiperazinyl)methyl]-2-[(4-nitrophenyl)methylene]benzo[b] furan-3-one
| Molecular Formula | C21H21N3O5 |
|---|---|
| Molecular Weight | 395.15 g/mol |
| LogP | 2.664 |
| Topological Polar Surface Area | 96.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.14813 |
| Heavy Atoms | 29 |
| Complexity | 992.12134 |
Chemical Identifiers
| CAS Number | 896835-58-8 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC=C(C=C4)[N+](=O)[O-])/C3=O)O |
Product Overview
(Z)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-2-(4-nitrobenzylidene)benzofuran-3(2H)-one (CAS 896835-58-8), with molecular formula C21H21N3O5 and molecular weight 395.15 g/mol. IUPAC: (2Z)-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-2-[(4-nitrophenyl)methylidene]-1-benzofuran-3-one.
Chemical Property Profile of (Z)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-2-(4-nitrobenzylidene)benzofuran-3(2H)-one
Property Insights of (Z)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-2-(4-nitrobenzylidene)benzofuran-3(2H)-one
The XLogP value of 2.664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-2-(4-nitrobenzylidene)benzofuran-3(2H)-one. The TPSA of 96.15 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-2-(4-nitrobenzylidene)benzofuran-3(2H)-one. Following Lipinski's Rule of Five, (Z)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-2-(4-nitrobenzylidene)benzofuran-3(2H)-one has 1 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 (Z)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-2-(4-nitrobenzylidene)benzofuran-3(2H)-one?
The CAS number of (Z)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-2-(4-nitrobenzylidene)benzofuran-3(2H)-one is 896835-58-8.
What is the molecular formula of (Z)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-2-(4-nitrobenzylidene)benzofuran-3(2H)-one?
The molecular formula of (Z)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-2-(4-nitrobenzylidene)benzofuran-3(2H)-one is C21H21N3O5.
What is the molecular weight of (Z)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-2-(4-nitrobenzylidene)benzofuran-3(2H)-one?
The molecular weight of (Z)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-2-(4-nitrobenzylidene)benzofuran-3(2H)-one is 395.15 g/mol.
Where can I buy (Z)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-2-(4-nitrobenzylidene)benzofuran-3(2H)-one?
You can request a quote for (Z)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-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)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-2-(4-nitrobenzylidene)benzofuran-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-2-(4-nitrobenzylidene)benzofuran-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.