ethyl 4-(2-(1-benzyl-5-oxo-3-phenethyl-2-thioxoimidazolidin-4-yl)acetamido)benzoate
TL;DR: ethyl 4-(2-(1-benzyl-5-oxo-3-phenethyl-2-thioxoimidazolidin-4-yl)acetamido)benzoate (CAS 1031207-67-6) is a chemical compound with molecular formula C29H29N3O4S and molecular weight 515.18787 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-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: ethyl 4-(2-(1-benzyl-5-oxo-3-phenethyl-2-thioxoimidazolidin-4-yl)acetamido)benzoate, ethyl 4-({[1-benzyl-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate, Ethyl 4-[[2-(1-benzyl-5-oxo-3-phenethyl-2-sulfanylidene-imidazolidin-4-yl)acetyl]amino]benzoate, ethyl 4-[[2-(1-benzyl-5-oxo-3-phenethyl-2-sulfanylideneimidazolidin-4-yl)acetyl]amino]benzoate
Technical Specifications
| Molecular Formula | C29H29N3O4S |
| Molecular Weight | 515.18787 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 515.18787 Da |
| Heavy Atoms | 37 |
| Complexity | 801.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC3=CC=CC=C3)CC4=CC=CC=C4 |
| InChIKey | ZAAVHJOPEFTGFV-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 4-(2-(1-benzyl-5-oxo-3-phenethyl-2-thioxoimidazolidin-4-yl)acetamido)benzoate
Property Insights of ethyl 4-(2-(1-benzyl-5-oxo-3-phenethyl-2-thioxoimidazolidin-4-yl)acetamido)benzoate
The XLogP value of 4.4 indicates that ethyl 4-(2-(1-benzyl-5-oxo-3-phenethyl-2-thioxoimidazolidin-4-yl)acetamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(2-(1-benzyl-5-oxo-3-phenethyl-2-thioxoimidazolidin-4-yl)acetamido)benzoate. Following Lipinski's Rule of Five, ethyl 4-(2-(1-benzyl-5-oxo-3-phenethyl-2-thioxoimidazolidin-4-yl)acetamido)benzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ethyl 4-(2-(1-benzyl-5-oxo-3-phenethyl-2-thioxoimidazolidin-4-yl)acetamido)benzoate?
The CAS number of ethyl 4-(2-(1-benzyl-5-oxo-3-phenethyl-2-thioxoimidazolidin-4-yl)acetamido)benzoate is 1031207-67-6.
What is the molecular formula of ethyl 4-(2-(1-benzyl-5-oxo-3-phenethyl-2-thioxoimidazolidin-4-yl)acetamido)benzoate?
The molecular formula of ethyl 4-(2-(1-benzyl-5-oxo-3-phenethyl-2-thioxoimidazolidin-4-yl)acetamido)benzoate is C29H29N3O4S.
What is the molecular weight of ethyl 4-(2-(1-benzyl-5-oxo-3-phenethyl-2-thioxoimidazolidin-4-yl)acetamido)benzoate?
The molecular weight of ethyl 4-(2-(1-benzyl-5-oxo-3-phenethyl-2-thioxoimidazolidin-4-yl)acetamido)benzoate is 515.18787 g/mol.
Where can I buy ethyl 4-(2-(1-benzyl-5-oxo-3-phenethyl-2-thioxoimidazolidin-4-yl)acetamido)benzoate?
You can request a quote for ethyl 4-(2-(1-benzyl-5-oxo-3-phenethyl-2-thioxoimidazolidin-4-yl)acetamido)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 4-(2-(1-benzyl-5-oxo-3-phenethyl-2-thioxoimidazolidin-4-yl)acetamido)benzoate?
Yes, CoreyChem provides custom synthesis services for ethyl 4-(2-(1-benzyl-5-oxo-3-phenethyl-2-thioxoimidazolidin-4-yl)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.