![ethyl 4-[3-(4-fluorobenzyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate structure](/static/products/102/1023939-08-3.png)
ethyl 4-[3-(4-fluorobenzyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate
TL;DR: ethyl 4-[3-(4-fluorobenzyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate (CAS 1023939-08-3) is a chemical compound with molecular formula C27H23F2N3O4S and molecular weight 523.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate
Also Known As: ethyl 4-[3-(4-fluorobenzyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate, ethyl 4-(3-(4-fluorobenzyl)-4-(2-((4-fluorophenyl)amino)-2-oxoethyl)-5-oxo-2-thioxoimidazolidin-1-yl)benzoate, ethyl 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate
| Molecular Formula | C27H23F2N3O4S |
|---|---|
| Molecular Weight | 523.14 g/mol |
| LogP | 4.6726 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 523.13776 |
| Heavy Atoms | 37 |
| Complexity | 1314.9877 |
Chemical Identifiers
| CAS Number | 1023939-08-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CC3=CC=C(C=C3)F)CC(=O)NC4=CC=C(C=C4)F |
Product Overview
ethyl 4-[3-(4-fluorobenzyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate (CAS 1023939-08-3), with molecular formula C27H23F2N3O4S and molecular weight 523.14 g/mol. IUPAC: ethyl 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate.
Chemical Property Profile of ethyl 4-[3-(4-fluorobenzyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate
Property Insights of ethyl 4-[3-(4-fluorobenzyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate
The XLogP value of 4.6726 indicates that ethyl 4-[3-(4-fluorobenzyl)-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 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[3-(4-fluorobenzyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate. Following Lipinski's Rule of Five, ethyl 4-[3-(4-fluorobenzyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]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-fluorobenzyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate?
The CAS number of ethyl 4-[3-(4-fluorobenzyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate is 1023939-08-3.
What is the molecular formula of ethyl 4-[3-(4-fluorobenzyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate?
The molecular formula of ethyl 4-[3-(4-fluorobenzyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate is C27H23F2N3O4S.
What is the molecular weight of ethyl 4-[3-(4-fluorobenzyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate?
The molecular weight of ethyl 4-[3-(4-fluorobenzyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate is 523.14 g/mol.
Where can I buy ethyl 4-[3-(4-fluorobenzyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate?
You can request a quote for ethyl 4-[3-(4-fluorobenzyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]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-fluorobenzyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[3-(4-fluorobenzyl)-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.