(E)-2-ethoxy-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-methylbenzofuran-2-carboxylate
TL;DR: (E)-2-ethoxy-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-methylbenzofuran-2-carboxylate (CAS 381189-79-3) is a chemical compound with molecular formula C23H19NO5S2 and molecular weight 453.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-ethoxy-4-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-methyl-1-benzofuran-2-carboxylate
Also Known As: (E)-2-ethoxy-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-methylbenzofuran-2-carboxylate, [2-ethoxy-4-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-methyl-1-benzofuran-2-carboxylate, 2-ethoxy-4-[(E)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methyl-1-benzofuran-2-carboxylate
| Molecular Formula | C23H19NO5S2 |
|---|---|
| Molecular Weight | 453.07 g/mol |
| LogP | 5.19012 |
| Topological Polar Surface Area | 68.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.07047 |
| Heavy Atoms | 31 |
| Complexity | 1243.9927 |
Chemical Identifiers
| CAS Number | 381189-79-3 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)C)OC(=O)C3=C(C4=CC=CC=C4O3)C |
Product Overview
(E)-2-ethoxy-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-methylbenzofuran-2-carboxylate (CAS 381189-79-3), with molecular formula C23H19NO5S2 and molecular weight 453.07 g/mol. IUPAC: [2-ethoxy-4-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-methyl-1-benzofuran-2-carboxylate.
Chemical Property Profile of (E)-2-ethoxy-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-methylbenzofuran-2-carboxylate
Property Insights of (E)-2-ethoxy-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-methylbenzofuran-2-carboxylate
The XLogP value of 5.19012 indicates that (E)-2-ethoxy-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-methylbenzofuran-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-ethoxy-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-methylbenzofuran-2-carboxylate. Following Lipinski's Rule of Five, (E)-2-ethoxy-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-methylbenzofuran-2-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 (E)-2-ethoxy-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-methylbenzofuran-2-carboxylate?
The CAS number of (E)-2-ethoxy-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-methylbenzofuran-2-carboxylate is 381189-79-3.
What is the molecular formula of (E)-2-ethoxy-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-methylbenzofuran-2-carboxylate?
The molecular formula of (E)-2-ethoxy-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-methylbenzofuran-2-carboxylate is C23H19NO5S2.
What is the molecular weight of (E)-2-ethoxy-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-methylbenzofuran-2-carboxylate?
The molecular weight of (E)-2-ethoxy-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-methylbenzofuran-2-carboxylate is 453.07 g/mol.
Where can I buy (E)-2-ethoxy-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-methylbenzofuran-2-carboxylate?
You can request a quote for (E)-2-ethoxy-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-methylbenzofuran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-ethoxy-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-methylbenzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-ethoxy-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-methylbenzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.