![ethyl 4-[({3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate structure](/static/products/103/1039431-79-2.png)
ethyl 4-[({3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
TL;DR: ethyl 4-[({3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate (CAS 1039431-79-2) is a chemical compound with molecular formula C24H26ClN3O4S and molecular weight 487.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: ethyl 4-[({3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate, ethyl 4-(2-(3-(4-chlorophenethyl)-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl)acetamido)benzoate, ethyl 4-[[2-[3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
| Molecular Formula | C24H26ClN3O4S |
|---|---|
| Molecular Weight | 487.13 g/mol |
| LogP | 3.9056 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 487.13327 |
| Heavy Atoms | 33 |
| Complexity | 1027.0098 |
Chemical Identifiers
| CAS Number | 1039431-79-2 |
|---|---|
| SMILES | CCN1C(=O)C(N(C1=S)CCC2=CC=C(C=C2)Cl)CC(=O)NC3=CC=C(C=C3)C(=O)OCC |
Product Overview
ethyl 4-[({3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate (CAS 1039431-79-2), with molecular formula C24H26ClN3O4S and molecular weight 487.13 g/mol. IUPAC: ethyl 4-[[2-[3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-[({3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
Property Insights of ethyl 4-[({3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
The XLogP value of 3.9056 indicates that ethyl 4-[({3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[({3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate. Following Lipinski's Rule of Five, ethyl 4-[({3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-[({3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
The CAS number of ethyl 4-[({3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is 1039431-79-2.
What is the molecular formula of ethyl 4-[({3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
The molecular formula of ethyl 4-[({3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is C24H26ClN3O4S.
What is the molecular weight of ethyl 4-[({3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
The molecular weight of ethyl 4-[({3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is 487.13 g/mol.
Where can I buy ethyl 4-[({3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
You can request a quote for ethyl 4-[({3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[({3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[({3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.