![ethyl 4-({[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate structure](/static/products/1033/1033586-35-4.webp)
ethyl 4-({[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
TL;DR: ethyl 4-({[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate (CAS 1033586-35-4) is a chemical compound with molecular formula C22H24N4O4S and molecular weight 440.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: ethyl 4-({[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate, ethyl 4-(2-(1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl)acetamido)benzoate, ethyl 4-[[2-[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
| Molecular Formula | C22H24N4O4S |
|---|---|
| Molecular Weight | 440.15 g/mol |
| LogP | 2.6047 |
| Topological Polar Surface Area | 91.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 440.15182 |
| Heavy Atoms | 31 |
| Complexity | 965.236 |
Chemical Identifiers
| CAS Number | 1033586-35-4 |
|---|---|
| SMILES | CCN1C(=O)C(N(C1=S)CC2=CN=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OCC |
Product Overview
ethyl 4-({[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate (CAS 1033586-35-4), with molecular formula C22H24N4O4S and molecular weight 440.15 g/mol. IUPAC: ethyl 4-[[2-[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-({[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
Property Insights of ethyl 4-({[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
The XLogP value of 2.6047 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-({[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate. The TPSA of 91.84 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-({[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-({[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-({[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The CAS number of ethyl 4-({[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is 1033586-35-4.
What is the molecular formula of ethyl 4-({[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The molecular formula of ethyl 4-({[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is C22H24N4O4S.
What is the molecular weight of ethyl 4-({[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The molecular weight of ethyl 4-({[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is 440.15 g/mol.
Where can I buy ethyl 4-({[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
You can request a quote for ethyl 4-({[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-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-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-({[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.