ethyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate
TL;DR: ethyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate (CAS 675191-68-1) is a chemical compound with molecular formula C25H26N2O5S and molecular weight 466.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(5Z)-5-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
Also Known As: ethyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate, ethyl 4-({(2E,5Z)-5-[3-ethoxy-4-(prop-2-en-1-yloxy)benzylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoate, ethyl 4-[[(5Z)-5-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
| Molecular Formula | C25H26N2O5S |
|---|---|
| Molecular Weight | 466.16 g/mol |
| LogP | 5.0606 |
| Topological Polar Surface Area | 77.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 466.15625 |
| Heavy Atoms | 33 |
| Complexity | 1092.4762 |
Chemical Identifiers
| CAS Number | 675191-68-1 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=NC3=CC=C(C=C3)C(=O)OCC)S2)C)OCC=C |
Product Overview
ethyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate (CAS 675191-68-1), with molecular formula C25H26N2O5S and molecular weight 466.16 g/mol. IUPAC: ethyl 4-[[(5Z)-5-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate.
Chemical Property Profile of ethyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate
Property Insights of ethyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate
The XLogP value of 5.0606 indicates that ethyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate 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 ethyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate?
The CAS number of ethyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate is 675191-68-1.
What is the molecular formula of ethyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate?
The molecular formula of ethyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate is C25H26N2O5S.
What is the molecular weight of ethyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate?
The molecular weight of ethyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate is 466.16 g/mol.
Where can I buy ethyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate?
You can request a quote for ethyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.