(Z)-7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-2-((3-methylthiophen-2-yl)methylene)benzofuran-3(2H)-one
TL;DR: (Z)-7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-2-((3-methylthiophen-2-yl)methylene)benzofuran-3(2H)-one (CAS 896597-58-3) is a chemical compound with molecular formula C21H25NO5S and molecular weight 403.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-7-[[bis(2-methoxyethyl)amino]methyl]-6-hydroxy-2-[(3-methylthiophen-2-yl)methylidene]-1-benzofuran-3-one
Also Known As: (Z)-7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-2-((3-methylthiophen-2-yl)methylene)benzofuran-3(2H)-one, F3385-2624, (2Z)-7-[[bis(2-methoxyethyl)amino]methyl]-6-hydroxy-2-[(3-methylthiophen-2-yl)methylidene]-1-benzofuran-3-one, (2Z)-7-{[bis(2-methoxyethyl)amino]methyl}-6-hydroxy-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one, (2Z)-7-{[bis(2-methoxyethyl)amino]methyl}-6-hydroxy-2-[(3-methylthiophen-2-yl)methylidene]-1-benzofuran-3(2H)-one
| Molecular Formula | C21H25NO5S |
|---|---|
| Molecular Weight | 403.15 g/mol |
| LogP | 3.47312 |
| Topological Polar Surface Area | 68.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 403.14536 |
| Heavy Atoms | 28 |
| Complexity | 865.676 |
Chemical Identifiers
| CAS Number | 896597-58-3 |
|---|---|
| SMILES | CC1=C(SC=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)CN(CCOC)CCOC |
Product Overview
(Z)-7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-2-((3-methylthiophen-2-yl)methylene)benzofuran-3(2H)-one (CAS 896597-58-3), with molecular formula C21H25NO5S and molecular weight 403.15 g/mol. IUPAC: (2Z)-7-[[bis(2-methoxyethyl)amino]methyl]-6-hydroxy-2-[(3-methylthiophen-2-yl)methylidene]-1-benzofuran-3-one.
Chemical Property Profile of (Z)-7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-2-((3-methylthiophen-2-yl)methylene)benzofuran-3(2H)-one
Property Insights of (Z)-7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-2-((3-methylthiophen-2-yl)methylene)benzofuran-3(2H)-one
The XLogP value of 3.47312 indicates that (Z)-7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-2-((3-methylthiophen-2-yl)methylene)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)-7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-2-((3-methylthiophen-2-yl)methylene)benzofuran-3(2H)-one. Following Lipinski's Rule of Five, (Z)-7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-2-((3-methylthiophen-2-yl)methylene)benzofuran-3(2H)-one has 1 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 (Z)-7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-2-((3-methylthiophen-2-yl)methylene)benzofuran-3(2H)-one?
The CAS number of (Z)-7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-2-((3-methylthiophen-2-yl)methylene)benzofuran-3(2H)-one is 896597-58-3.
What is the molecular formula of (Z)-7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-2-((3-methylthiophen-2-yl)methylene)benzofuran-3(2H)-one?
The molecular formula of (Z)-7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-2-((3-methylthiophen-2-yl)methylene)benzofuran-3(2H)-one is C21H25NO5S.
What is the molecular weight of (Z)-7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-2-((3-methylthiophen-2-yl)methylene)benzofuran-3(2H)-one?
The molecular weight of (Z)-7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-2-((3-methylthiophen-2-yl)methylene)benzofuran-3(2H)-one is 403.15 g/mol.
Where can I buy (Z)-7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-2-((3-methylthiophen-2-yl)methylene)benzofuran-3(2H)-one?
You can request a quote for (Z)-7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-2-((3-methylthiophen-2-yl)methylene)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)-7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-2-((3-methylthiophen-2-yl)methylene)benzofuran-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-2-((3-methylthiophen-2-yl)methylene)benzofuran-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.