![2-(benzo[1,3]dioxol-5-ylmethylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3-one structure](/static/products/859/859133-89-4.png)
2-(benzo[1,3]dioxol-5-ylmethylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3-one
TL;DR: 2-(benzo[1,3]dioxol-5-ylmethylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3-one (CAS 859133-89-4) is a chemical compound with molecular formula C21H19NO5 and molecular weight 365.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-one
Also Known As: 2-(benzo[1,3]dioxol-5-ylmethylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3-one, (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3(2H)-one, (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-one, (Z)-2-(benzo[d][1,3]dioxol-5-ylmethylene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3(2H)-one, 2-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethylene)-6-hydroxy-7-(pyrrolidinylmethyl) benzo[b]furan-3-one
| Molecular Formula | C21H19NO5 |
|---|---|
| Molecular Weight | 365.13 g/mol |
| LogP | 3.3329 |
| Topological Polar Surface Area | 68.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.1263 |
| Heavy Atoms | 27 |
| Complexity | 959.2846 |
Chemical Identifiers
| CAS Number | 859133-89-4 |
|---|---|
| SMILES | C1CCN(C1)CC2=C(C=CC3=C2O/C(=C\C4=CC5=C(C=C4)OCO5)/C3=O)O |
Product Overview
2-(benzo[1,3]dioxol-5-ylmethylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3-one (CAS 859133-89-4), with molecular formula C21H19NO5 and molecular weight 365.13 g/mol. IUPAC: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-one.
Chemical Property Profile of 2-(benzo[1,3]dioxol-5-ylmethylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3-one
Property Insights of 2-(benzo[1,3]dioxol-5-ylmethylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3-one
The XLogP value of 3.3329 indicates that 2-(benzo[1,3]dioxol-5-ylmethylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3-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 2-(benzo[1,3]dioxol-5-ylmethylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3-one. Following Lipinski's Rule of Five, 2-(benzo[1,3]dioxol-5-ylmethylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3-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 2-(benzo[1,3]dioxol-5-ylmethylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3-one?
The CAS number of 2-(benzo[1,3]dioxol-5-ylmethylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3-one is 859133-89-4.
What is the molecular formula of 2-(benzo[1,3]dioxol-5-ylmethylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3-one?
The molecular formula of 2-(benzo[1,3]dioxol-5-ylmethylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3-one is C21H19NO5.
What is the molecular weight of 2-(benzo[1,3]dioxol-5-ylmethylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3-one?
The molecular weight of 2-(benzo[1,3]dioxol-5-ylmethylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3-one is 365.13 g/mol.
Where can I buy 2-(benzo[1,3]dioxol-5-ylmethylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3-one?
You can request a quote for 2-(benzo[1,3]dioxol-5-ylmethylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzo[1,3]dioxol-5-ylmethylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzo[1,3]dioxol-5-ylmethylidene)-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.