![ethyl 4-[({1-benzyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate structure](/static/products/103/1031223-83-2.png)
ethyl 4-[({1-benzyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
TL;DR: ethyl 4-[({1-benzyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate (CAS 1031223-83-2) is a chemical compound with molecular formula C30H31N3O5S and molecular weight 545.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[1-benzyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: ethyl 4-[({1-benzyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate, ethyl 4-(2-(1-benzyl-3-(4-methoxyphenethyl)-5-oxo-2-thioxoimidazolidin-4-yl)acetamido)benzoate, ETHYL 4-(2-{1-BENZYL-3-[2-(4-METHOXYPHENYL)ETHYL]-5-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL}ACETAMIDO)BENZOATE, ethyl 4-[[2-[1-benzyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
| Molecular Formula | C30H31N3O5S |
|---|---|
| Molecular Weight | 545.20 g/mol |
| LogP | 4.4411 |
| Topological Polar Surface Area | 88.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 545.1984 |
| Heavy Atoms | 39 |
| Complexity | 1312.6891 |
Chemical Identifiers
| CAS Number | 1031223-83-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC3=CC=C(C=C3)OC)CC4=CC=CC=C4 |
Product Overview
ethyl 4-[({1-benzyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate (CAS 1031223-83-2), with molecular formula C30H31N3O5S and molecular weight 545.20 g/mol. IUPAC: ethyl 4-[[2-[1-benzyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-[({1-benzyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
Property Insights of ethyl 4-[({1-benzyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
The XLogP value of 4.4411 indicates that ethyl 4-[({1-benzyl-3-[2-(4-methoxyphenyl)ethyl]-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 88.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[({1-benzyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate. Following Lipinski's Rule of Five, ethyl 4-[({1-benzyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate has 1 hydrogen bond donor(s) and 6 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-[({1-benzyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
The CAS number of ethyl 4-[({1-benzyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is 1031223-83-2.
What is the molecular formula of ethyl 4-[({1-benzyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
The molecular formula of ethyl 4-[({1-benzyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is C30H31N3O5S.
What is the molecular weight of ethyl 4-[({1-benzyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
The molecular weight of ethyl 4-[({1-benzyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is 545.20 g/mol.
Where can I buy ethyl 4-[({1-benzyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
You can request a quote for ethyl 4-[({1-benzyl-3-[2-(4-methoxyphenyl)ethyl]-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-[({1-benzyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[({1-benzyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.