(Z)-benzyl 2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate
TL;DR: (Z)-benzyl 2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate (CAS 623117-87-3) is a chemical compound with molecular formula C22H16O5S and molecular weight 392.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetate
Also Known As: (Z)-benzyl 2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate, F3385-5016, benzyl 2-{[(2Z)-3-oxo-2-[(thiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate, benzyl 2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetate, Benzyl 2-[3-oxo-2-(thiophen-2-ylmethylidene)benzofuran-6-yl]oxyacetate
| Molecular Formula | C22H16O5S |
|---|---|
| Molecular Weight | 392.07 g/mol |
| LogP | 4.4865 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.07184 |
| Heavy Atoms | 28 |
| Complexity | 1022.3454 |
Chemical Identifiers
| CAS Number | 623117-87-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)COC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=CS4)/O3 |
Product Overview
(Z)-benzyl 2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate (CAS 623117-87-3), with molecular formula C22H16O5S and molecular weight 392.07 g/mol. IUPAC: benzyl 2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetate.
Chemical Property Profile of (Z)-benzyl 2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate
Property Insights of (Z)-benzyl 2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate
The XLogP value of 4.4865 indicates that (Z)-benzyl 2-((3-oxo-2-(thiophen-2-ylmethylene)-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)-benzyl 2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate. Following Lipinski's Rule of Five, (Z)-benzyl 2-((3-oxo-2-(thiophen-2-ylmethylene)-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)-benzyl 2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
The CAS number of (Z)-benzyl 2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate is 623117-87-3.
What is the molecular formula of (Z)-benzyl 2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
The molecular formula of (Z)-benzyl 2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate is C22H16O5S.
What is the molecular weight of (Z)-benzyl 2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
The molecular weight of (Z)-benzyl 2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate is 392.07 g/mol.
Where can I buy (Z)-benzyl 2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
You can request a quote for (Z)-benzyl 2-((3-oxo-2-(thiophen-2-ylmethylene)-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)-benzyl 2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-benzyl 2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.