(Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl benzoate
TL;DR: (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl benzoate (CAS 622362-03-2) is a chemical compound with molecular formula C21H14O4S and molecular weight 362.06 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]-3-oxo-1-benzofuran-6-yl] benzoate
Also Known As: (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl benzoate, (2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl benzoate, F3385-0327, [(2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl] benzoate, 2-[(3-methyl(2-thienyl))methylene]-3-oxobenzo[3,4-b]furan-6-yl benzoate
| Molecular Formula | C21H14O4S |
|---|---|
| Molecular Weight | 362.06 g/mol |
| LogP | 4.89192 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.06128 |
| Heavy Atoms | 26 |
| Complexity | 1031.1744 |
Chemical Identifiers
| CAS Number | 622362-03-2 |
|---|---|
| SMILES | CC1=C(SC=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=CC=C4 |
Product Overview
(Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl benzoate (CAS 622362-03-2), with molecular formula C21H14O4S and molecular weight 362.06 g/mol. IUPAC: [(2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl] benzoate.
Chemical Property Profile of (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl benzoate
Property Insights of (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl benzoate
The XLogP value of 4.89192 indicates that (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl benzoate 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)-3-oxo-2,3-dihydrobenzofuran-6-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl benzoate 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)-3-oxo-2,3-dihydrobenzofuran-6-yl benzoate?
The CAS number of (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl benzoate is 622362-03-2.
What is the molecular formula of (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl benzoate?
The molecular formula of (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl benzoate is C21H14O4S.
What is the molecular weight of (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl benzoate?
The molecular weight of (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl benzoate is 362.06 g/mol.
Where can I buy (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl benzoate?
You can request a quote for (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl benzoate 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)-3-oxo-2,3-dihydrobenzofuran-6-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.