ethyl 4-((E)-((Z)-5-(2-chloro-4,5-dimethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate
TL;DR: ethyl 4-((E)-((Z)-5-(2-chloro-4,5-dimethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate (CAS 799809-56-6) is a chemical compound with molecular formula C22H21ClN2O5S and molecular weight 460.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(5Z)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
Also Known As: ethyl 4-((E)-((Z)-5-(2-chloro-4,5-dimethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate, ethyl 4-[[(5Z)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate, ethyl 4-{[(2E,5Z)-5-(2-chloro-4,5-dimethoxybenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoate
| Molecular Formula | C22H21ClN2O5S |
|---|---|
| Molecular Weight | 460.09 g/mol |
| LogP | 4.7677 |
| Topological Polar Surface Area | 77.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.08597 |
| Heavy Atoms | 31 |
| Complexity | 1066.316 |
Chemical Identifiers
| CAS Number | 799809-56-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)/C(=C/C3=CC(=C(C=C3Cl)OC)OC)/S2)C |
Product Overview
ethyl 4-((E)-((Z)-5-(2-chloro-4,5-dimethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate (CAS 799809-56-6), with molecular formula C22H21ClN2O5S and molecular weight 460.09 g/mol. IUPAC: ethyl 4-[[(5Z)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate.
Chemical Property Profile of ethyl 4-((E)-((Z)-5-(2-chloro-4,5-dimethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate
Property Insights of ethyl 4-((E)-((Z)-5-(2-chloro-4,5-dimethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate
The XLogP value of 4.7677 indicates that ethyl 4-((E)-((Z)-5-(2-chloro-4,5-dimethoxybenzylidene)-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-(2-chloro-4,5-dimethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-((E)-((Z)-5-(2-chloro-4,5-dimethoxybenzylidene)-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 ethyl 4-((E)-((Z)-5-(2-chloro-4,5-dimethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate?
The CAS number of ethyl 4-((E)-((Z)-5-(2-chloro-4,5-dimethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate is 799809-56-6.
What is the molecular formula of ethyl 4-((E)-((Z)-5-(2-chloro-4,5-dimethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate?
The molecular formula of ethyl 4-((E)-((Z)-5-(2-chloro-4,5-dimethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate is C22H21ClN2O5S.
What is the molecular weight of ethyl 4-((E)-((Z)-5-(2-chloro-4,5-dimethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate?
The molecular weight of ethyl 4-((E)-((Z)-5-(2-chloro-4,5-dimethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate is 460.09 g/mol.
Where can I buy ethyl 4-((E)-((Z)-5-(2-chloro-4,5-dimethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate?
You can request a quote for ethyl 4-((E)-((Z)-5-(2-chloro-4,5-dimethoxybenzylidene)-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-(2-chloro-4,5-dimethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-((E)-((Z)-5-(2-chloro-4,5-dimethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.