(Z)-2-((3-methylthiophen-2-yl)methylene)-6-(2-oxo-2-phenylethoxy)benzofuran-3(2H)-one
TL;DR: (Z)-2-((3-methylthiophen-2-yl)methylene)-6-(2-oxo-2-phenylethoxy)benzofuran-3(2H)-one (CAS 1164473-29-3) is a chemical compound with molecular formula C22H16O4S and molecular weight 376.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[(3-methylthiophen-2-yl)methylidene]-6-phenacyloxy-1-benzofuran-3-one
Also Known As: (Z)-2-((3-methylthiophen-2-yl)methylene)-6-(2-oxo-2-phenylethoxy)benzofuran-3(2H)-one, (2Z)-2-[(3-methylthiophen-2-yl)methylidene]-6-(2-oxo-2-phenylethoxy)-2,3-dihydro-1-benzofuran-3-one, (2Z)-2-[(3-methylthiophen-2-yl)methylidene]-6-phenacyloxy-1-benzofuran-3-one, 2-[(3-methyl(2-thienyl))methylene]-6-(2-oxo-2-phenylethoxy)benzo[b]furan-3-one, (2Z)-2-[(3-methylthiophen-2-yl)methylidene]-6-(2-oxo-2-phenylethoxy)-1-benzofuran-3(2H)-one
| Molecular Formula | C22H16O4S |
|---|---|
| Molecular Weight | 376.08 g/mol |
| LogP | 4.93442 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.07693 |
| Heavy Atoms | 27 |
| Complexity | 1047.1846 |
Chemical Identifiers
| CAS Number | 1164473-29-3 |
|---|---|
| SMILES | CC1=C(SC=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OCC(=O)C4=CC=CC=C4 |
Product Overview
(Z)-2-((3-methylthiophen-2-yl)methylene)-6-(2-oxo-2-phenylethoxy)benzofuran-3(2H)-one (CAS 1164473-29-3), with molecular formula C22H16O4S and molecular weight 376.08 g/mol. IUPAC: (2Z)-2-[(3-methylthiophen-2-yl)methylidene]-6-phenacyloxy-1-benzofuran-3-one.
Chemical Property Profile of (Z)-2-((3-methylthiophen-2-yl)methylene)-6-(2-oxo-2-phenylethoxy)benzofuran-3(2H)-one
Property Insights of (Z)-2-((3-methylthiophen-2-yl)methylene)-6-(2-oxo-2-phenylethoxy)benzofuran-3(2H)-one
The XLogP value of 4.93442 indicates that (Z)-2-((3-methylthiophen-2-yl)methylene)-6-(2-oxo-2-phenylethoxy)benzofuran-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, (Z)-2-((3-methylthiophen-2-yl)methylene)-6-(2-oxo-2-phenylethoxy)benzofuran-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-2-((3-methylthiophen-2-yl)methylene)-6-(2-oxo-2-phenylethoxy)benzofuran-3(2H)-one has 0 hydrogen bond donor(s) and 5 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-((3-methylthiophen-2-yl)methylene)-6-(2-oxo-2-phenylethoxy)benzofuran-3(2H)-one?
The CAS number of (Z)-2-((3-methylthiophen-2-yl)methylene)-6-(2-oxo-2-phenylethoxy)benzofuran-3(2H)-one is 1164473-29-3.
What is the molecular formula of (Z)-2-((3-methylthiophen-2-yl)methylene)-6-(2-oxo-2-phenylethoxy)benzofuran-3(2H)-one?
The molecular formula of (Z)-2-((3-methylthiophen-2-yl)methylene)-6-(2-oxo-2-phenylethoxy)benzofuran-3(2H)-one is C22H16O4S.
What is the molecular weight of (Z)-2-((3-methylthiophen-2-yl)methylene)-6-(2-oxo-2-phenylethoxy)benzofuran-3(2H)-one?
The molecular weight of (Z)-2-((3-methylthiophen-2-yl)methylene)-6-(2-oxo-2-phenylethoxy)benzofuran-3(2H)-one is 376.08 g/mol.
Where can I buy (Z)-2-((3-methylthiophen-2-yl)methylene)-6-(2-oxo-2-phenylethoxy)benzofuran-3(2H)-one?
You can request a quote for (Z)-2-((3-methylthiophen-2-yl)methylene)-6-(2-oxo-2-phenylethoxy)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-((3-methylthiophen-2-yl)methylene)-6-(2-oxo-2-phenylethoxy)benzofuran-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-((3-methylthiophen-2-yl)methylene)-6-(2-oxo-2-phenylethoxy)benzofuran-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.