![(2Z)-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one structure](/static/products/899/899385-09-2.png)
(2Z)-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one
TL;DR: (2Z)-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one (CAS 899385-09-2) is a chemical compound with molecular formula C20H22N2O3S and molecular weight 370.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-1-benzofuran-3-one
Also Known As: (2Z)-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one, F3385-2616, (Z)-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-2-((3-methylthiophen-2-yl)methylene)benzofuran-3(2H)-one, (2Z)-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-1-benzofuran-3-one, (2Z)-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-1-benzofuran-3(2H)-one
| Molecular Formula | C20H22N2O3S |
|---|---|
| Molecular Weight | 370.14 g/mol |
| LogP | 3.12572 |
| Topological Polar Surface Area | 53.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.1351 |
| Heavy Atoms | 26 |
| Complexity | 879.17664 |
Chemical Identifiers
| CAS Number | 899385-09-2 |
|---|---|
| SMILES | CC1=C(SC=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCN(CC4)C |
Product Overview
(2Z)-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one (CAS 899385-09-2), with molecular formula C20H22N2O3S and molecular weight 370.14 g/mol. IUPAC: (2Z)-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-1-benzofuran-3-one.
Chemical Property Profile of (2Z)-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one
Property Insights of (2Z)-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one
The XLogP value of 3.12572 indicates that (2Z)-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.01 Ų, (2Z)-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-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 (2Z)-6-hydroxy-7-[(4-methylpiperazin-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-methylpiperazin-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one is 899385-09-2.
What is the molecular formula of (2Z)-6-hydroxy-7-[(4-methylpiperazin-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-methylpiperazin-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one is C20H22N2O3S.
What is the molecular weight of (2Z)-6-hydroxy-7-[(4-methylpiperazin-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-methylpiperazin-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one is 370.14 g/mol.
Where can I buy (2Z)-6-hydroxy-7-[(4-methylpiperazin-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-methylpiperazin-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-methylpiperazin-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-methylpiperazin-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.