(Z)-2-(2-chloro-6-fluorobenzylidene)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxybenzofuran-3(2H)-one
TL;DR: (Z)-2-(2-chloro-6-fluorobenzylidene)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxybenzofuran-3(2H)-one (CAS 896806-36-3) is a chemical compound with molecular formula C22H22ClFN2O3 and molecular weight 416.13 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]-7-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-1-benzofuran-3-one
Also Known As: (Z)-2-(2-chloro-6-fluorobenzylidene)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxybenzofuran-3(2H)-one, F3385-2258, (2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-7-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-1-benzofuran-3-one, (2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-7-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-2,3-dihydro-1-benzofuran-3-one, (2Z)-2-(2-chloro-6-fluorobenzylidene)-7-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-1-benzofuran-3(2H)-one
| Molecular Formula | C22H22ClFN2O3 |
|---|---|
| Molecular Weight | 416.13 g/mol |
| LogP | 3.9384 |
| Topological Polar Surface Area | 53.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.1303 |
| Heavy Atoms | 29 |
| Complexity | 964.01294 |
Chemical Identifiers
| CAS Number | 896806-36-3 |
|---|---|
| SMILES | CCN1CCN(CC1)CC2=C(C=CC3=C2O/C(=C\C4=C(C=CC=C4Cl)F)/C3=O)O |
Product Overview
(Z)-2-(2-chloro-6-fluorobenzylidene)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxybenzofuran-3(2H)-one (CAS 896806-36-3), with molecular formula C22H22ClFN2O3 and molecular weight 416.13 g/mol. IUPAC: (2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-7-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-1-benzofuran-3-one.
Chemical Property Profile of (Z)-2-(2-chloro-6-fluorobenzylidene)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxybenzofuran-3(2H)-one
Property Insights of (Z)-2-(2-chloro-6-fluorobenzylidene)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxybenzofuran-3(2H)-one
The XLogP value of 3.9384 indicates that (Z)-2-(2-chloro-6-fluorobenzylidene)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxybenzofuran-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.01 Ų, (Z)-2-(2-chloro-6-fluorobenzylidene)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxybenzofuran-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-2-(2-chloro-6-fluorobenzylidene)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxybenzofuran-3(2H)-one has 1 hydrogen bond donor(s) and 5 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)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxybenzofuran-3(2H)-one?
The CAS number of (Z)-2-(2-chloro-6-fluorobenzylidene)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxybenzofuran-3(2H)-one is 896806-36-3.
What is the molecular formula of (Z)-2-(2-chloro-6-fluorobenzylidene)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxybenzofuran-3(2H)-one?
The molecular formula of (Z)-2-(2-chloro-6-fluorobenzylidene)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxybenzofuran-3(2H)-one is C22H22ClFN2O3.
What is the molecular weight of (Z)-2-(2-chloro-6-fluorobenzylidene)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxybenzofuran-3(2H)-one?
The molecular weight of (Z)-2-(2-chloro-6-fluorobenzylidene)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxybenzofuran-3(2H)-one is 416.13 g/mol.
Where can I buy (Z)-2-(2-chloro-6-fluorobenzylidene)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxybenzofuran-3(2H)-one?
You can request a quote for (Z)-2-(2-chloro-6-fluorobenzylidene)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxybenzofuran-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)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxybenzofuran-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(2-chloro-6-fluorobenzylidene)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxybenzofuran-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.