![(2Z)-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one structure](/static/products/896/896078-23-2.png)
(2Z)-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one
TL;DR: (2Z)-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one (CAS 896078-23-2) is a chemical compound with molecular formula C21H24N2O4S and molecular weight 400.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-[(3-methylthiophen-2-yl)methylidene]-1-benzofuran-3-one
Also Known As: (2Z)-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one, (Z)-6-hydroxy-7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-2-((3-methylthiophen-2-yl)methylene)benzofuran-3(2H)-one, F3385-2238, (2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-[(3-methylthiophen-2-yl)methylidene]-1-benzofuran-3-one, (2Z)-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-[(3-methylthiophen-2-yl)methylidene]-1-benzofuran-3(2H)-one
| Molecular Formula | C21H24N2O4S |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | 2.48822 |
| Topological Polar Surface Area | 73.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.1457 |
| Heavy Atoms | 28 |
| Complexity | 913.1246 |
Chemical Identifiers
| CAS Number | 896078-23-2 |
|---|---|
| SMILES | CC1=C(SC=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCN(CC4)CCO |
Product Overview
(2Z)-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one (CAS 896078-23-2), with molecular formula C21H24N2O4S and molecular weight 400.15 g/mol. IUPAC: (2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-[(3-methylthiophen-2-yl)methylidene]-1-benzofuran-3-one.
Chemical Property Profile of (2Z)-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one
Property Insights of (2Z)-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one
The XLogP value of 2.48822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2Z)-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one. The TPSA of 73.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one. Following Lipinski's Rule of Five, (2Z)-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one has 2 hydrogen bond donor(s) and 7 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)-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one?
The CAS number of (2Z)-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one is 896078-23-2.
What is the molecular formula of (2Z)-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one?
The molecular formula of (2Z)-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one is C21H24N2O4S.
What is the molecular weight of (2Z)-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one?
The molecular weight of (2Z)-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one is 400.15 g/mol.
Where can I buy (2Z)-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one?
You can request a quote for (2Z)-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-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 (2Z)-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.