![ethyl 4-({[3-(4-chlorobenzyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate structure](/static/products/1044/1044507-06-3.webp)
ethyl 4-({[3-(4-chlorobenzyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
TL;DR: ethyl 4-({[3-(4-chlorobenzyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate (CAS 1044507-06-3) is a chemical compound with molecular formula C27H23ClFN3O4S and molecular weight 539.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: ethyl 4-({[3-(4-chlorobenzyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate, ethyl 4-(2-(3-(4-chlorobenzyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl)acetamido)benzoate, ethyl 4-[[2-[3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
| Molecular Formula | C27H23ClFN3O4S |
|---|---|
| Molecular Weight | 539.11 g/mol |
| LogP | 5.1869 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 539.10815 |
| Heavy Atoms | 37 |
| Complexity | 1316.9877 |
Chemical Identifiers
| CAS Number | 1044507-06-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F |
Product Overview
ethyl 4-({[3-(4-chlorobenzyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate (CAS 1044507-06-3), with molecular formula C27H23ClFN3O4S and molecular weight 539.11 g/mol. IUPAC: ethyl 4-[[2-[3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-({[3-(4-chlorobenzyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
Property Insights of ethyl 4-({[3-(4-chlorobenzyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
The XLogP value of 5.1869 indicates that ethyl 4-({[3-(4-chlorobenzyl)-1-(4-fluorophenyl)-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-(4-chlorobenzyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-({[3-(4-chlorobenzyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-({[3-(4-chlorobenzyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The CAS number of ethyl 4-({[3-(4-chlorobenzyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is 1044507-06-3.
What is the molecular formula of ethyl 4-({[3-(4-chlorobenzyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The molecular formula of ethyl 4-({[3-(4-chlorobenzyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is C27H23ClFN3O4S.
What is the molecular weight of ethyl 4-({[3-(4-chlorobenzyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The molecular weight of ethyl 4-({[3-(4-chlorobenzyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is 539.11 g/mol.
Where can I buy ethyl 4-({[3-(4-chlorobenzyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
You can request a quote for ethyl 4-({[3-(4-chlorobenzyl)-1-(4-fluorophenyl)-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-(4-chlorobenzyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-({[3-(4-chlorobenzyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.