![ethyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate structure](/static/products/103/1039398-29-2.webp)
ethyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
TL;DR: ethyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate (CAS 1039398-29-2) is a chemical compound with molecular formula C28H24FN3O6S and molecular weight 549.13696 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: ethyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate, ethyl 4-(2-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl)acetamido)benzoate, ethyl 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Technical Specifications
| Molecular Formula | C28H24FN3O6S |
| Molecular Weight | 549.13696 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 549.13696 Da |
| Heavy Atoms | 39 |
| Complexity | 923.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)F |
| InChIKey | JUOXKVWUPHMOFS-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
Property Insights of ethyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
The XLogP value of 3.9 indicates that ethyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-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 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ethyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The CAS number of ethyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is 1039398-29-2.
What is the molecular formula of ethyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The molecular formula of ethyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is C28H24FN3O6S.
What is the molecular weight of ethyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The molecular weight of ethyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is 549.13696 g/mol.
Where can I buy ethyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
You can request a quote for ethyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
Yes, CoreyChem provides custom synthesis services for ethyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-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.