methyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate
TL;DR: methyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate (CAS 799802-42-9) is a chemical compound with molecular formula C24H24N2O5S and molecular weight 452.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(5Z)-5-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
Also Known As: methyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate, methyl 4-({(2E,5Z)-5-[3-ethoxy-4-(prop-2-en-1-yloxy)benzylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoate, methyl 4-[[(5Z)-5-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
| Molecular Formula | C24H24N2O5S |
|---|---|
| Molecular Weight | 452.14 g/mol |
| LogP | 4.6705 |
| Topological Polar Surface Area | 77.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 452.1406 |
| Heavy Atoms | 32 |
| Complexity | 1076.2972 |
Chemical Identifiers
| CAS Number | 799802-42-9 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=NC3=CC=C(C=C3)C(=O)OC)S2)C)OCC=C |
Product Overview
methyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate (CAS 799802-42-9), with molecular formula C24H24N2O5S and molecular weight 452.14 g/mol. IUPAC: methyl 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 methyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate
Property Insights of methyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate
The XLogP value of 4.6705 indicates that methyl 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 methyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate. Following Lipinski's Rule of Five, methyl 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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate?
The CAS number of methyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate is 799802-42-9.
What is the molecular formula of methyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate?
The molecular formula of methyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate is C24H24N2O5S.
What is the molecular weight of methyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate?
The molecular weight of methyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate is 452.14 g/mol.
Where can I buy methyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate?
You can request a quote for methyl 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 methyl 4-((E)-((Z)-5-(4-(allyloxy)-3-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 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.