![ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate structure](/static/products/103/1031705-86-8.webp)
ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate
TL;DR: ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate (CAS 1031705-86-8) 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-[3-(1,3-benzodioxol-5-ylmethyl)-4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate
Also Known As: ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate, ethyl 4-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(2-((4-fluorophenyl)amino)-2-oxoethyl)-5-oxo-2-thioxoimidazolidin-1-yl)benzoate, ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate, ETHYL 4-{3-(1,3-BENZODIOXOL-5-YLMETHYL)-4-[2-(4-FLUOROANILINO)-2-OXOETHYL]-5-OXO-2-THIOXO-1-IMIDAZOLIDINYL}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)N2C(=O)C(N(C2=S)CC3=CC4=C(C=C3)OCO4)CC(=O)NC5=CC=C(C=C5)F |
| InChIKey | PVVBEHGIZXSCAP-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate
Property Insights of ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate
The XLogP value of 3.9 indicates that ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-{2-[(4-fluorophenyl)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 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate. Following Lipinski's Rule of Five, ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]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)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate?
The CAS number of ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate is 1031705-86-8.
What is the molecular formula of ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate?
The molecular formula of ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate is C28H24FN3O6S.
What is the molecular weight of ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate?
The molecular weight of ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate is 549.13696 g/mol.
Where can I buy ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate?
You can request a quote for ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-{2-[(4-fluorophenyl)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-(1,3-benzodioxol-5-ylmethyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate?
Yes, CoreyChem provides custom synthesis services for ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.