(Z)-tert-butyl 2-((2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate
TL;DR: (Z)-tert-butyl 2-((2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate (CAS 620548-16-5) is a chemical compound with molecular formula C20H20O5S and molecular weight 372.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate
Also Known As: (Z)-tert-butyl 2-((2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate, F3385-0805, tert-butyl 2-[[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate, tert-butyl 2-{[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate, tert-butyl 2-{2-[(3-methyl(2-thienyl))methylene]-3-oxobenzo[3,4-b]furan-6-ylox y}acetate
| Molecular Formula | C20H20O5S |
|---|---|
| Molecular Weight | 372.10 g/mol |
| LogP | 4.39322 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.10315 |
| Heavy Atoms | 26 |
| Complexity | 885.84674 |
Chemical Identifiers
| CAS Number | 620548-16-5 |
|---|---|
| SMILES | CC1=C(SC=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OCC(=O)OC(C)(C)C |
Product Overview
(Z)-tert-butyl 2-((2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate (CAS 620548-16-5), with molecular formula C20H20O5S and molecular weight 372.10 g/mol. IUPAC: tert-butyl 2-[[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate.
Chemical Property Profile of (Z)-tert-butyl 2-((2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate
Property Insights of (Z)-tert-butyl 2-((2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate
The XLogP value of 4.39322 indicates that (Z)-tert-butyl 2-((2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-tert-butyl 2-((2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate. Following Lipinski's Rule of Five, (Z)-tert-butyl 2-((2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate has 0 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 (Z)-tert-butyl 2-((2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
The CAS number of (Z)-tert-butyl 2-((2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate is 620548-16-5.
What is the molecular formula of (Z)-tert-butyl 2-((2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
The molecular formula of (Z)-tert-butyl 2-((2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate is C20H20O5S.
What is the molecular weight of (Z)-tert-butyl 2-((2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
The molecular weight of (Z)-tert-butyl 2-((2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate is 372.10 g/mol.
Where can I buy (Z)-tert-butyl 2-((2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
You can request a quote for (Z)-tert-butyl 2-((2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-tert-butyl 2-((2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-tert-butyl 2-((2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.