(2Z)-2-(2-bromobenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3(2H)-one
TL;DR: (2Z)-2-(2-bromobenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3(2H)-one (CAS 896599-95-4) is a chemical compound with molecular formula C20H18BrNO3 and molecular weight 399.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[(2-bromophenyl)methylidene]-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-one
Also Known As: (2Z)-2-(2-bromobenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3(2H)-one, (Z)-2-(2-bromobenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one, 2-[(2-bromophenyl)methylene]-6-hydroxy-7-(pyrrolidinylmethyl)benzo[b]furan-3-o ne, 2-[(2-bromophenyl)methylidene]-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3-one, (2Z)-2-[(2-bromophenyl)methylidene]-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-one
| Molecular Formula | C20H18BrNO3 |
|---|---|
| Molecular Weight | 399.05 g/mol |
| LogP | 4.3667 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.047 |
| Heavy Atoms | 25 |
| Complexity | 869.2401 |
Chemical Identifiers
| CAS Number | 896599-95-4 |
|---|---|
| SMILES | C1CCN(C1)CC2=C(C=CC3=C2O/C(=C\C4=CC=CC=C4Br)/C3=O)O |
Product Overview
(2Z)-2-(2-bromobenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3(2H)-one (CAS 896599-95-4), with molecular formula C20H18BrNO3 and molecular weight 399.05 g/mol. IUPAC: (2Z)-2-[(2-bromophenyl)methylidene]-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-one.
Chemical Property Profile of (2Z)-2-(2-bromobenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3(2H)-one
Property Insights of (2Z)-2-(2-bromobenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3(2H)-one
The XLogP value of 4.3667 indicates that (2Z)-2-(2-bromobenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-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 49.77 Ų, (2Z)-2-(2-bromobenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-2-(2-bromobenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3(2H)-one has 1 hydrogen bond donor(s) and 4 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 (2Z)-2-(2-bromobenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3(2H)-one?
The CAS number of (2Z)-2-(2-bromobenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3(2H)-one is 896599-95-4.
What is the molecular formula of (2Z)-2-(2-bromobenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3(2H)-one?
The molecular formula of (2Z)-2-(2-bromobenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3(2H)-one is C20H18BrNO3.
What is the molecular weight of (2Z)-2-(2-bromobenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3(2H)-one?
The molecular weight of (2Z)-2-(2-bromobenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3(2H)-one is 399.05 g/mol.
Where can I buy (2Z)-2-(2-bromobenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3(2H)-one?
You can request a quote for (2Z)-2-(2-bromobenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-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 (2Z)-2-(2-bromobenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-(2-bromobenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.