(Z)-2-(3-bromobenzylidene)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)benzofuran-3(2H)-one
TL;DR: (Z)-2-(3-bromobenzylidene)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)benzofuran-3(2H)-one (CAS 896069-44-6) is a chemical compound with molecular formula C21H21BrN2O3 and molecular weight 428.07355 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2Z)-2-[(3-bromophenyl)methylidene]-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-one
Also Known As: (Z)-2-(3-bromobenzylidene)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)benzofuran-3(2H)-one, F3385-2607, (2Z)-2-[(3-bromophenyl)methylidene]-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-one, (2Z)-2-[(3-bromophenyl)methylidene]-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1-benzofuran-3-one, 2-[(3-bromophenyl)methylene]-6-hydroxy-7-[(4-methylpiperazinyl)methyl]benzo[b] furan-3-one
Technical Specifications
| Molecular Formula | C21H21BrN2O3 |
| Molecular Weight | 428.07355 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 53.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.07355 Da |
| Heavy Atoms | 27 |
| Complexity | 576.0 |
| SMILES | CN1CCN(CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC(=CC=C4)Br)/C3=O)O |
| InChIKey | NHVINYOPMUQVNI-UNOMPAQXSA-N |
Chemical Property Profile of (Z)-2-(3-bromobenzylidene)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)benzofuran-3(2H)-one
Property Insights of (Z)-2-(3-bromobenzylidene)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)benzofuran-3(2H)-one
The XLogP value of 3.6 indicates that (Z)-2-(3-bromobenzylidene)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)benzofuran-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, (Z)-2-(3-bromobenzylidene)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)benzofuran-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-2-(3-bromobenzylidene)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)benzofuran-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
What is the CAS number of (Z)-2-(3-bromobenzylidene)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)benzofuran-3(2H)-one?
The CAS number of (Z)-2-(3-bromobenzylidene)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)benzofuran-3(2H)-one is 896069-44-6.
What is the molecular formula of (Z)-2-(3-bromobenzylidene)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)benzofuran-3(2H)-one?
The molecular formula of (Z)-2-(3-bromobenzylidene)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)benzofuran-3(2H)-one is C21H21BrN2O3.
What is the molecular weight of (Z)-2-(3-bromobenzylidene)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)benzofuran-3(2H)-one?
The molecular weight of (Z)-2-(3-bromobenzylidene)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)benzofuran-3(2H)-one is 428.07355 g/mol.
Where can I buy (Z)-2-(3-bromobenzylidene)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)benzofuran-3(2H)-one?
You can request a quote for (Z)-2-(3-bromobenzylidene)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)benzofuran-3(2H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (Z)-2-(3-bromobenzylidene)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)benzofuran-3(2H)-one?
Yes, CoreyChem provides custom synthesis services for (Z)-2-(3-bromobenzylidene)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)benzofuran-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.