![ethyl 4-({[1-ethyl-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate structure](/static/products/102/1025100-35-9.png)
ethyl 4-({[1-ethyl-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
TL;DR: ethyl 4-({[1-ethyl-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate (CAS 1025100-35-9) is a chemical compound with molecular formula C24H27N3O4S and molecular weight 453.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[1-ethyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: ethyl 4-({[1-ethyl-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate, ethyl 4-(2-(1-ethyl-5-oxo-3-phenethyl-2-thioxoimidazolidin-4-yl)acetamido)benzoate, Ethyl 4-[[2-(1-ethyl-5-oxo-3-phenethyl-2-sulfanylidene-imidazolidin-4-yl)acetyl]amino]benzoate, ethyl 4-[[2-(1-ethyl-5-oxo-3-phenethyl-2-sulfanylideneimidazolidin-4-yl)acetyl]amino]benzoate, ETHYL 4-{[2-(1-ETHYL-5-OXO-3-PHENETHYL-2-THIOXO-4-IMIDAZOLIDINYL)ACETYL]AMINO}BENZOATE
| Molecular Formula | C24H27N3O4S |
|---|---|
| Molecular Weight | 453.17 g/mol |
| LogP | 3.2522 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 453.17224 |
| Heavy Atoms | 32 |
| Complexity | 978.49866 |
Chemical Identifiers
| CAS Number | 1025100-35-9 |
|---|---|
| SMILES | CCN1C(=O)C(N(C1=S)CCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OCC |
Product Overview
ethyl 4-({[1-ethyl-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate (CAS 1025100-35-9), with molecular formula C24H27N3O4S and molecular weight 453.17 g/mol. IUPAC: ethyl 4-[[2-[1-ethyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-({[1-ethyl-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
Property Insights of ethyl 4-({[1-ethyl-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
The XLogP value of 3.2522 indicates that ethyl 4-({[1-ethyl-5-oxo-3-(2-phenylethyl)-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-({[1-ethyl-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-({[1-ethyl-5-oxo-3-(2-phenylethyl)-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-({[1-ethyl-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The CAS number of ethyl 4-({[1-ethyl-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is 1025100-35-9.
What is the molecular formula of ethyl 4-({[1-ethyl-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The molecular formula of ethyl 4-({[1-ethyl-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is C24H27N3O4S.
What is the molecular weight of ethyl 4-({[1-ethyl-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The molecular weight of ethyl 4-({[1-ethyl-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is 453.17 g/mol.
Where can I buy ethyl 4-({[1-ethyl-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
You can request a quote for ethyl 4-({[1-ethyl-5-oxo-3-(2-phenylethyl)-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-({[1-ethyl-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-({[1-ethyl-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.