(Z)-2-(2,3-dimethoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one
TL;DR: (Z)-2-(2,3-dimethoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one (CAS 859664-50-9) is a chemical compound with molecular formula C22H23NO5 and molecular weight 381.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-one
Also Known As: (Z)-2-(2,3-dimethoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one, F3385-2513, (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-one, (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-6-hydroxy-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1-benzofuran-3-one, 2-[(2,3-dimethoxyphenyl)methylene]-6-hydroxy-7-(pyrrolidinylmethyl)benzo[b]fur an-3-one
| Molecular Formula | C22H23NO5 |
|---|---|
| Molecular Weight | 381.16 g/mol |
| LogP | 3.6214 |
| Topological Polar Surface Area | 68.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.15762 |
| Heavy Atoms | 28 |
| Complexity | 944.1836 |
Chemical Identifiers
| CAS Number | 859664-50-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCCC4 |
Product Overview
(Z)-2-(2,3-dimethoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one (CAS 859664-50-9), with molecular formula C22H23NO5 and molecular weight 381.16 g/mol. IUPAC: (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-one.
Chemical Property Profile of (Z)-2-(2,3-dimethoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one
Property Insights of (Z)-2-(2,3-dimethoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one
The XLogP value of 3.6214 indicates that (Z)-2-(2,3-dimethoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.23 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(2,3-dimethoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one. Following Lipinski's Rule of Five, (Z)-2-(2,3-dimethoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one has 1 hydrogen bond donor(s) and 6 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-(2,3-dimethoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one?
The CAS number of (Z)-2-(2,3-dimethoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one is 859664-50-9.
What is the molecular formula of (Z)-2-(2,3-dimethoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one?
The molecular formula of (Z)-2-(2,3-dimethoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one is C22H23NO5.
What is the molecular weight of (Z)-2-(2,3-dimethoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one?
The molecular weight of (Z)-2-(2,3-dimethoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one is 381.16 g/mol.
Where can I buy (Z)-2-(2,3-dimethoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one?
You can request a quote for (Z)-2-(2,3-dimethoxybenzylidene)-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-(2,3-dimethoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(2,3-dimethoxybenzylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.