![ethyl 4-[4-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate structure](/static/products/1022/1022922-25-3.webp)
ethyl 4-[4-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate
TL;DR: ethyl 4-[4-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate (CAS 1022922-25-3) is a chemical compound with molecular formula C28H28N4O5S and molecular weight 532.17804 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[4-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-1-yl]benzoate
Also Known As: ethyl 4-[4-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate, ethyl 4-(4-(2-((4-ethoxyphenyl)amino)-2-oxoethyl)-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-1-yl)benzoate, ETHYL 4-[4-[2-(4-ETHOXYANILINO)-2-OXOETHYL]-5-OXO-3-(3-PYRIDYLMETHYL)-2-THIOXO-1-IMIDAZOLIDINYL]BENZOATE, ethyl 4-[4-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-1-yl]benzoate
Technical Specifications
| Molecular Formula | C28H28N4O5S |
| Molecular Weight | 532.17804 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 532.17804 Da |
| Heavy Atoms | 38 |
| Complexity | 841.0 |
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CN=CC=C3)C4=CC=C(C=C4)C(=O)OCC |
| InChIKey | ADZCGDHMAFNCHQ-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 4-[4-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate
Property Insights of ethyl 4-[4-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate
The XLogP value of 3.3 indicates that ethyl 4-[4-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[4-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate. Following Lipinski's Rule of Five, ethyl 4-[4-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-1-yl]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-[4-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate?
The CAS number of ethyl 4-[4-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate is 1022922-25-3.
What is the molecular formula of ethyl 4-[4-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate?
The molecular formula of ethyl 4-[4-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate is C28H28N4O5S.
What is the molecular weight of ethyl 4-[4-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate?
The molecular weight of ethyl 4-[4-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate is 532.17804 g/mol.
Where can I buy ethyl 4-[4-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate?
You can request a quote for ethyl 4-[4-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-5-oxo-3-(pyridin-3-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-ethoxyphenyl)amino]-2-oxoethyl}-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate?
Yes, CoreyChem provides custom synthesis services for ethyl 4-[4-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.