(Z)-2-(2-chloro-6-fluorobenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one
TL;DR: (Z)-2-(2-chloro-6-fluorobenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one (CAS 899385-43-4) is a chemical compound with molecular formula C22H22ClFN2O4 and molecular weight 432.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-benzofuran-3-one
Also Known As: (Z)-2-(2-chloro-6-fluorobenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one, F3385-2370, (2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-benzofuran-3-one, (2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2,3-dihydro-1-benzofuran-3-one, (2Z)-2-(2-chloro-6-fluorobenzylidene)-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1-benzofuran-3(2H)-one
| Molecular Formula | C22H22ClFN2O4 |
|---|---|
| Molecular Weight | 432.13 g/mol |
| LogP | 2.9108 |
| Topological Polar Surface Area | 73.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.1252 |
| Heavy Atoms | 30 |
| Complexity | 982.6223 |
Chemical Identifiers
| CAS Number | 899385-43-4 |
|---|---|
| SMILES | C1CN(CCN1CCO)CC2=C(C=CC3=C2O/C(=C\C4=C(C=CC=C4Cl)F)/C3=O)O |
Product Overview
(Z)-2-(2-chloro-6-fluorobenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one (CAS 899385-43-4), with molecular formula C22H22ClFN2O4 and molecular weight 432.13 g/mol. IUPAC: (2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-benzofuran-3-one.
Chemical Property Profile of (Z)-2-(2-chloro-6-fluorobenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one
Property Insights of (Z)-2-(2-chloro-6-fluorobenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one
The XLogP value of 2.9108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-2-(2-chloro-6-fluorobenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one. The TPSA of 73.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(2-chloro-6-fluorobenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one. Following Lipinski's Rule of Five, (Z)-2-(2-chloro-6-fluorobenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one has 2 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)-2-(2-chloro-6-fluorobenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one?
The CAS number of (Z)-2-(2-chloro-6-fluorobenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one is 899385-43-4.
What is the molecular formula of (Z)-2-(2-chloro-6-fluorobenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one?
The molecular formula of (Z)-2-(2-chloro-6-fluorobenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one is C22H22ClFN2O4.
What is the molecular weight of (Z)-2-(2-chloro-6-fluorobenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one?
The molecular weight of (Z)-2-(2-chloro-6-fluorobenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one is 432.13 g/mol.
Where can I buy (Z)-2-(2-chloro-6-fluorobenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one?
You can request a quote for (Z)-2-(2-chloro-6-fluorobenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)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)-2-(2-chloro-6-fluorobenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(2-chloro-6-fluorobenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.