![ethyl 4-[4-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate structure](/static/products/104/1042766-53-9.webp)
ethyl 4-[4-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate
TL;DR: ethyl 4-[4-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate (CAS 1042766-53-9) is a chemical compound with molecular formula C25H22ClN3O4S2 and molecular weight 527.07404 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[4-[2-(4-chloroanilino)-2-oxoethyl]-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-1-yl]benzoate
Also Known As: ethyl 4-[4-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate, ethyl 4-(4-(2-((4-chlorophenyl)amino)-2-oxoethyl)-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-1-yl)benzoate, ethyl 4-[4-[2-(4-chloroanilino)-2-oxoethyl]-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-1-yl]benzoate, ETHYL 4-[4-[2-(4-CHLOROANILINO)-2-OXOETHYL]-5-OXO-3-(2-THIENYLMETHYL)-2-THIOXO-1-IMIDAZOLIDINYL]BENZOATE
Technical Specifications
| Molecular Formula | C25H22ClN3O4S2 |
| Molecular Weight | 527.07404 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 527.07404 Da |
| Heavy Atoms | 35 |
| Complexity | 800.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CC3=CC=CS3)CC(=O)NC4=CC=C(C=C4)Cl |
| InChIKey | VHFPGYNQJPGDGT-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 4-[4-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate
Property Insights of ethyl 4-[4-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate
The XLogP value of 4.4 indicates that ethyl 4-[4-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[4-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate. Following Lipinski's Rule of Five, ethyl 4-[4-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-1-yl]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-[4-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate?
The CAS number of ethyl 4-[4-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate is 1042766-53-9.
What is the molecular formula of ethyl 4-[4-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate?
The molecular formula of ethyl 4-[4-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate is C25H22ClN3O4S2.
What is the molecular weight of ethyl 4-[4-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate?
The molecular weight of ethyl 4-[4-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate is 527.07404 g/mol.
Where can I buy ethyl 4-[4-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate?
You can request a quote for ethyl 4-[4-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 4-[4-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate?
Yes, CoreyChem provides custom synthesis services for ethyl 4-[4-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.