![ethyl 4-({[1-benzyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate structure](/static/products/1022/1022917-16-3.webp)
ethyl 4-({[1-benzyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
TL;DR: ethyl 4-({[1-benzyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate (CAS 1022917-16-3) is a chemical compound with molecular formula C27H26N4O4S and molecular weight 502.16748 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[[2-[1-benzyl-5-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: ethyl 4-({[1-benzyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate, ethyl 4-(2-(1-benzyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl)acetamido)benzoate, ethyl 4-[[2-[1-benzyl-5-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Technical Specifications
| Molecular Formula | C27H26N4O4S |
| Molecular Weight | 502.16748 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 502.16748 Da |
| Heavy Atoms | 36 |
| Complexity | 795.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CN=CC=C3)CC4=CC=CC=C4 |
| InChIKey | ZYAFLBQQAUXQBP-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 4-({[1-benzyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
Property Insights of ethyl 4-({[1-benzyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-({[1-benzyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-({[1-benzyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-({[1-benzyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ethyl 4-({[1-benzyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The CAS number of ethyl 4-({[1-benzyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is 1022917-16-3.
What is the molecular formula of ethyl 4-({[1-benzyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The molecular formula of ethyl 4-({[1-benzyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is C27H26N4O4S.
What is the molecular weight of ethyl 4-({[1-benzyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The molecular weight of ethyl 4-({[1-benzyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is 502.16748 g/mol.
Where can I buy ethyl 4-({[1-benzyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
You can request a quote for ethyl 4-({[1-benzyl-5-oxo-3-(pyridin-3-ylmethyl)-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-({[1-benzyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
Yes, CoreyChem provides custom synthesis services for ethyl 4-({[1-benzyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.