(Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one
TL;DR: (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one (CAS 896850-45-6) is a chemical compound with molecular formula C21H20BrNO4 and molecular weight 429.06 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-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-one
Also Known As: (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one, F3385-2721, (2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-hydroxy-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1-benzofuran-3-one, (2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-one, (2Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3(2H)-one
| Molecular Formula | C21H20BrNO4 |
|---|---|
| Molecular Weight | 429.06 g/mol |
| LogP | 4.3753 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.05756 |
| Heavy Atoms | 27 |
| Complexity | 932.0191 |
Chemical Identifiers
| CAS Number | 896850-45-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCCC4 |
Product Overview
(Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one (CAS 896850-45-6), with molecular formula C21H20BrNO4 and molecular weight 429.06 g/mol. IUPAC: (2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-one.
Chemical Property Profile of (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one
Property Insights of (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one
The XLogP value of 4.3753 indicates that (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)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 59.0 Ų, (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)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
Frequently Asked Questions
What is the CAS number of (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one?
The CAS number of (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one is 896850-45-6.
What is the molecular formula of (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one?
The molecular formula of (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one is C21H20BrNO4.
What is the molecular weight of (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one?
The molecular weight of (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one is 429.06 g/mol.
Where can I buy (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one?
You can request a quote for (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)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-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(5-bromo-2-methoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.