(Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one
TL;DR: (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one (CAS 896811-16-8) is a chemical compound with molecular formula C23H25BrN2O5 and molecular weight 488.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-benzofuran-3-one
Also Known As: (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one, F3385-2687, (2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2,3-dihydro-1-benzofuran-3-one, (2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-benzofuran-3-one, (2Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1-benzofuran-3(2H)-one
| Molecular Formula | C23H25BrN2O5 |
|---|---|
| Molecular Weight | 488.09 g/mol |
| LogP | 2.8894 |
| Topological Polar Surface Area | 82.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.09467 |
| Heavy Atoms | 31 |
| Complexity | 1015.26666 |
Chemical Identifiers
| CAS Number | 896811-16-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCN(CC4)CCO |
Product Overview
(Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one (CAS 896811-16-8), with molecular formula C23H25BrN2O5 and molecular weight 488.09 g/mol. IUPAC: (2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-benzofuran-3-one.
Chemical Property Profile of (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one
Property Insights of (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one
The XLogP value of 2.8894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one. The TPSA of 82.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one. Following Lipinski's Rule of Five, (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one has 2 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)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one?
The CAS number of (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one is 896811-16-8.
What is the molecular formula of (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one?
The molecular formula of (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one is C23H25BrN2O5.
What is the molecular weight of (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one?
The molecular weight of (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one is 488.09 g/mol.
Where can I buy (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one?
You can request a quote for (Z)-2-(5-bromo-2-methoxybenzylidene)-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-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)benzofuran-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(5-bromo-2-methoxybenzylidene)-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.