![ethyl 4-(3-[2-(4-fluorophenyl)ethyl]-4-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl)benzoate structure](/static/products/103/1031704-18-3.webp)
ethyl 4-(3-[2-(4-fluorophenyl)ethyl]-4-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl)benzoate
TL;DR: ethyl 4-(3-[2-(4-fluorophenyl)ethyl]-4-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl)benzoate (CAS 1031704-18-3) is a chemical compound with molecular formula C29H28FN3O5S and molecular weight 549.17334 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[3-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate
Also Known As: ethyl 4-(3-[2-(4-fluorophenyl)ethyl]-4-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl)benzoate, ethyl 4-(3-(4-fluorophenethyl)-4-(2-((4-methoxyphenyl)amino)-2-oxoethyl)-5-oxo-2-thioxoimidazolidin-1-yl)benzoate, ethyl 4-[3-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate, ETHYL 4-{3-(4-FLUOROPHENETHYL)-4-[2-(4-METHOXYANILINO)-2-OXOETHYL]-5-OXO-2-THIOXO-1-IMIDAZOLIDINYL}BENZOATE
Technical Specifications
| Molecular Formula | C29H28FN3O5S |
| Molecular Weight | 549.17334 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 549.17334 Da |
| Heavy Atoms | 39 |
| Complexity | 867.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCC3=CC=C(C=C3)F)CC(=O)NC4=CC=C(C=C4)OC |
| InChIKey | ZGPPERYEJPTNLE-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 4-(3-[2-(4-fluorophenyl)ethyl]-4-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl)benzoate
Property Insights of ethyl 4-(3-[2-(4-fluorophenyl)ethyl]-4-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl)benzoate
The XLogP value of 4.6 indicates that ethyl 4-(3-[2-(4-fluorophenyl)ethyl]-4-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(3-[2-(4-fluorophenyl)ethyl]-4-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl)benzoate. Following Lipinski's Rule of Five, ethyl 4-(3-[2-(4-fluorophenyl)ethyl]-4-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-5-oxo-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-(3-[2-(4-fluorophenyl)ethyl]-4-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl)benzoate?
The CAS number of ethyl 4-(3-[2-(4-fluorophenyl)ethyl]-4-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl)benzoate is 1031704-18-3.
What is the molecular formula of ethyl 4-(3-[2-(4-fluorophenyl)ethyl]-4-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl)benzoate?
The molecular formula of ethyl 4-(3-[2-(4-fluorophenyl)ethyl]-4-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl)benzoate is C29H28FN3O5S.
What is the molecular weight of ethyl 4-(3-[2-(4-fluorophenyl)ethyl]-4-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl)benzoate?
The molecular weight of ethyl 4-(3-[2-(4-fluorophenyl)ethyl]-4-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl)benzoate is 549.17334 g/mol.
Where can I buy ethyl 4-(3-[2-(4-fluorophenyl)ethyl]-4-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl)benzoate?
You can request a quote for ethyl 4-(3-[2-(4-fluorophenyl)ethyl]-4-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-5-oxo-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-(3-[2-(4-fluorophenyl)ethyl]-4-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl)benzoate?
Yes, CoreyChem provides custom synthesis services for ethyl 4-(3-[2-(4-fluorophenyl)ethyl]-4-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.