(Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 5-ethoxy-2-methylbenzofuran-3-carboxylate
TL;DR: (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 5-ethoxy-2-methylbenzofuran-3-carboxylate (CAS 848728-15-4) is a chemical compound with molecular formula C25H18O6S and molecular weight 446.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl] 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate
Also Known As: (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 5-ethoxy-2-methylbenzofuran-3-carboxylate, F3139-2232, (2Z)-3-oxo-2-[(thiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate, [(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl] 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate, (2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate
| Molecular Formula | C25H18O6S |
|---|---|
| Molecular Weight | 446.08 g/mol |
| LogP | 6.03682 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.0824 |
| Heavy Atoms | 32 |
| Complexity | 1377.2052 |
Chemical Identifiers
| CAS Number | 848728-15-4 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)OC(=C2C(=O)OC3=CC4=C(C=C3)C(=O)/C(=C/C5=CC=CS5)/O4)C |
Product Overview
(Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 5-ethoxy-2-methylbenzofuran-3-carboxylate (CAS 848728-15-4), with molecular formula C25H18O6S and molecular weight 446.08 g/mol. IUPAC: [(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl] 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 5-ethoxy-2-methylbenzofuran-3-carboxylate
Property Insights of (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 5-ethoxy-2-methylbenzofuran-3-carboxylate
The XLogP value of 6.03682 indicates that (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 5-ethoxy-2-methylbenzofuran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.97 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 5-ethoxy-2-methylbenzofuran-3-carboxylate. Following Lipinski's Rule of Five, (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 5-ethoxy-2-methylbenzofuran-3-carboxylate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 5-ethoxy-2-methylbenzofuran-3-carboxylate?
The CAS number of (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 5-ethoxy-2-methylbenzofuran-3-carboxylate is 848728-15-4.
What is the molecular formula of (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 5-ethoxy-2-methylbenzofuran-3-carboxylate?
The molecular formula of (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 5-ethoxy-2-methylbenzofuran-3-carboxylate is C25H18O6S.
What is the molecular weight of (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 5-ethoxy-2-methylbenzofuran-3-carboxylate?
The molecular weight of (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 5-ethoxy-2-methylbenzofuran-3-carboxylate is 446.08 g/mol.
Where can I buy (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 5-ethoxy-2-methylbenzofuran-3-carboxylate?
You can request a quote for (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 5-ethoxy-2-methylbenzofuran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 5-ethoxy-2-methylbenzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 5-ethoxy-2-methylbenzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.