![ethyl 4-({[3-(4-methoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate structure](/static/products/860/860645-64-3.png)
ethyl 4-({[3-(4-methoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
TL;DR: ethyl 4-({[3-(4-methoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate (CAS 860645-64-3) is a chemical compound with molecular formula C29H29N3O6S and molecular weight 547.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[1-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: ethyl 4-({[3-(4-methoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate, ethyl 4-(2-(3-(4-methoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl)acetamido)benzoate, ethyl 4-[[2-[1-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
| Molecular Formula | C29H29N3O6S |
|---|---|
| Molecular Weight | 547.18 g/mol |
| LogP | 4.4116 |
| Topological Polar Surface Area | 97.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 547.17773 |
| Heavy Atoms | 39 |
| Complexity | 1342.9457 |
Chemical Identifiers
| CAS Number | 860645-64-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC |
Product Overview
ethyl 4-({[3-(4-methoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate (CAS 860645-64-3), with molecular formula C29H29N3O6S and molecular weight 547.18 g/mol. IUPAC: ethyl 4-[[2-[1-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-({[3-(4-methoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
Property Insights of ethyl 4-({[3-(4-methoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
The XLogP value of 4.4116 indicates that ethyl 4-({[3-(4-methoxybenzyl)-1-(4-methoxyphenyl)-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 97.41 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-({[3-(4-methoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-({[3-(4-methoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate has 1 hydrogen bond donor(s) and 7 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-methoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The CAS number of ethyl 4-({[3-(4-methoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is 860645-64-3.
What is the molecular formula of ethyl 4-({[3-(4-methoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The molecular formula of ethyl 4-({[3-(4-methoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is C29H29N3O6S.
What is the molecular weight of ethyl 4-({[3-(4-methoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The molecular weight of ethyl 4-({[3-(4-methoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is 547.18 g/mol.
Where can I buy ethyl 4-({[3-(4-methoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
You can request a quote for ethyl 4-({[3-(4-methoxybenzyl)-1-(4-methoxyphenyl)-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-({[3-(4-methoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-({[3-(4-methoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.