![methyl 4-[({1-(4-fluorophenyl)-5-oxo-3-[2-(pyridin-2-yl)ethyl]-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate structure](/static/products/102/1024731-68-7.png)
methyl 4-[({1-(4-fluorophenyl)-5-oxo-3-[2-(pyridin-2-yl)ethyl]-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
TL;DR: methyl 4-[({1-(4-fluorophenyl)-5-oxo-3-[2-(pyridin-2-yl)ethyl]-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate (CAS 1024731-68-7) is a chemical compound with molecular formula C26H23FN4O4S and molecular weight 506.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[1-(4-fluorophenyl)-5-oxo-3-(2-pyridin-2-ylethyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: methyl 4-[({1-(4-fluorophenyl)-5-oxo-3-[2-(pyridin-2-yl)ethyl]-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate, methyl 4-(2-(1-(4-fluorophenyl)-5-oxo-3-(2-(pyridin-2-yl)ethyl)-2-thioxoimidazolidin-4-yl)acetamido)benzoate, methyl 4-[[2-[1-(4-fluorophenyl)-5-oxo-3-(2-pyridin-2-ylethyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
| Molecular Formula | C26H23FN4O4S |
|---|---|
| Molecular Weight | 506.14 g/mol |
| LogP | 3.5809 |
| Topological Polar Surface Area | 91.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 506.1424 |
| Heavy Atoms | 36 |
| Complexity | 1269.3663 |
Chemical Identifiers
| CAS Number | 1024731-68-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC3=CC=CC=N3)C4=CC=C(C=C4)F |
Product Overview
methyl 4-[({1-(4-fluorophenyl)-5-oxo-3-[2-(pyridin-2-yl)ethyl]-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate (CAS 1024731-68-7), with molecular formula C26H23FN4O4S and molecular weight 506.14 g/mol. IUPAC: methyl 4-[[2-[1-(4-fluorophenyl)-5-oxo-3-(2-pyridin-2-ylethyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of methyl 4-[({1-(4-fluorophenyl)-5-oxo-3-[2-(pyridin-2-yl)ethyl]-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
Property Insights of methyl 4-[({1-(4-fluorophenyl)-5-oxo-3-[2-(pyridin-2-yl)ethyl]-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
The XLogP value of 3.5809 indicates that methyl 4-[({1-(4-fluorophenyl)-5-oxo-3-[2-(pyridin-2-yl)ethyl]-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.84 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[({1-(4-fluorophenyl)-5-oxo-3-[2-(pyridin-2-yl)ethyl]-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate. Following Lipinski's Rule of Five, methyl 4-[({1-(4-fluorophenyl)-5-oxo-3-[2-(pyridin-2-yl)ethyl]-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 methyl 4-[({1-(4-fluorophenyl)-5-oxo-3-[2-(pyridin-2-yl)ethyl]-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
The CAS number of methyl 4-[({1-(4-fluorophenyl)-5-oxo-3-[2-(pyridin-2-yl)ethyl]-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is 1024731-68-7.
What is the molecular formula of methyl 4-[({1-(4-fluorophenyl)-5-oxo-3-[2-(pyridin-2-yl)ethyl]-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
The molecular formula of methyl 4-[({1-(4-fluorophenyl)-5-oxo-3-[2-(pyridin-2-yl)ethyl]-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is C26H23FN4O4S.
What is the molecular weight of methyl 4-[({1-(4-fluorophenyl)-5-oxo-3-[2-(pyridin-2-yl)ethyl]-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
The molecular weight of methyl 4-[({1-(4-fluorophenyl)-5-oxo-3-[2-(pyridin-2-yl)ethyl]-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is 506.14 g/mol.
Where can I buy methyl 4-[({1-(4-fluorophenyl)-5-oxo-3-[2-(pyridin-2-yl)ethyl]-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
You can request a quote for methyl 4-[({1-(4-fluorophenyl)-5-oxo-3-[2-(pyridin-2-yl)ethyl]-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 methyl 4-[({1-(4-fluorophenyl)-5-oxo-3-[2-(pyridin-2-yl)ethyl]-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[({1-(4-fluorophenyl)-5-oxo-3-[2-(pyridin-2-yl)ethyl]-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.