![ethyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate structure](/static/products/104/1040354-50-4.webp)
ethyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
TL;DR: ethyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate (CAS 1040354-50-4) is a chemical compound with molecular formula C26H31N3O6S and molecular weight 513.19336 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: ethyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate, ethyl 4-(2-(3-(3,4-dimethoxyphenethyl)-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl)acetamido)benzoate, ETHYL 4-(2-{3-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-1-ETHYL-5-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL}ACETAMIDO)BENZOATE, ethyl 4-[[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Technical Specifications
| Molecular Formula | C26H31N3O6S |
| Molecular Weight | 513.19336 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 513.19336 Da |
| Heavy Atoms | 36 |
| Complexity | 788.0 |
| SMILES | CCN1C(=O)C(N(C1=S)CCC2=CC(=C(C=C2)OC)OC)CC(=O)NC3=CC=C(C=C3)C(=O)OCC |
| InChIKey | HTGFGVVKXVTFNE-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
Property Insights of ethyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
The XLogP value of 3.2 indicates that ethyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate. Following Lipinski's Rule of Five, ethyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ethyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
The CAS number of ethyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is 1040354-50-4.
What is the molecular formula of ethyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
The molecular formula of ethyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is C26H31N3O6S.
What is the molecular weight of ethyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
The molecular weight of ethyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is 513.19336 g/mol.
Where can I buy ethyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
You can request a quote for ethyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
Yes, CoreyChem provides custom synthesis services for ethyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.