![ethyl 4-[({1-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate structure](/static/products/4382/438229-03-9.webp)
ethyl 4-[({1-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate
TL;DR: ethyl 4-[({1-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate (CAS 438229-03-9) is a chemical compound with molecular formula C36H43N3O8S and molecular weight 677.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[1-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: ethyl 4-[({1-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate, Ethyl 4-[[2-[1-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl]acetyl]amino]benzoate, Benzoic acid, 4-[[2-[1-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl]acetyl]amino]-, ethyl ester, ethyl 4-[[2-[1-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate, ETHYL 4-({2-[1-(3,4-DIETHOXYPHENETHYL)-3-(3,4-DIMETHOXYPHENETHYL)-5-OXO-2-THIOXO-4-IMIDAZOLIDINYL]ACETYL}AMINO)BENZOATE
| Molecular Formula | C36H43N3O8S |
|---|---|
| Molecular Weight | 677.28 g/mol |
| LogP | 5.2896 |
| Topological Polar Surface Area | 115.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 17 |
| Exact Mass | 677.2771 |
| Heavy Atoms | 48 |
| Complexity | 1596.5536 |
Chemical Identifiers
| CAS Number | 438229-03-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)CCN2C(=O)C(N(C2=S)CCC3=CC(=C(C=C3)OC)OC)CC(=O)NC4=CC=C(C=C4)C(=O)OCC)OCC |
Product Overview
ethyl 4-[({1-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate (CAS 438229-03-9), with molecular formula C36H43N3O8S and molecular weight 677.28 g/mol. IUPAC: ethyl 4-[[2-[1-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-[({1-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate
Property Insights of ethyl 4-[({1-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate
The XLogP value of 5.2896 indicates that ethyl 4-[({1-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.87 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[({1-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate. Following Lipinski's Rule of Five, ethyl 4-[({1-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate has 1 hydrogen bond donor(s) and 9 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-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate?
The CAS number of ethyl 4-[({1-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate is 438229-03-9.
What is the molecular formula of ethyl 4-[({1-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate?
The molecular formula of ethyl 4-[({1-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate is C36H43N3O8S.
What is the molecular weight of ethyl 4-[({1-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate?
The molecular weight of ethyl 4-[({1-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate is 677.28 g/mol.
Where can I buy ethyl 4-[({1-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate?
You can request a quote for ethyl 4-[({1-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}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-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[({1-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.