![methyl 4-({[1-methyl-5-oxo-3-(4-sulfamoylbenzyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate structure](/static/products/384/384802-56-6.png)
methyl 4-({[1-methyl-5-oxo-3-(4-sulfamoylbenzyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
TL;DR: methyl 4-({[1-methyl-5-oxo-3-(4-sulfamoylbenzyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate (CAS 384802-56-6) is a chemical compound with molecular formula C21H22N4O6S2 and molecular weight 490.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[1-methyl-5-oxo-3-[(4-sulfamoylphenyl)methyl]-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: methyl 4-({[1-methyl-5-oxo-3-(4-sulfamoylbenzyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate, methyl 4-[[2-[1-methyl-5-oxo-3-[(4-sulfamoylphenyl)methyl]-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate, 4-[[2-[1-methyl-5-oxo-3-[(4-sulfamoylphenyl)methyl]-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester, 4-[[2-[5-keto-1-methyl-3-(4-sulfamoylbenzyl)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid methyl ester, 4-{2-[1-Methyl-5-oxo-3-(4-sulfamoyl-benzyl)-2-thioxo-imidazolidin-4-yl]-acetylamino}-benzoic acid methyl ester
| Molecular Formula | C21H22N4O6S2 |
|---|---|
| Molecular Weight | 490.10 g/mol |
| LogP | 1.0769 |
| Topological Polar Surface Area | 139.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.09808 |
| Heavy Atoms | 33 |
| Complexity | 1196.2656 |
Chemical Identifiers
| CAS Number | 384802-56-6 |
|---|---|
| SMILES | CN1C(=O)C(N(C1=S)CC2=CC=C(C=C2)S(=O)(=O)N)CC(=O)NC3=CC=C(C=C3)C(=O)OC |
Product Overview
methyl 4-({[1-methyl-5-oxo-3-(4-sulfamoylbenzyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate (CAS 384802-56-6), with molecular formula C21H22N4O6S2 and molecular weight 490.10 g/mol. IUPAC: methyl 4-[[2-[1-methyl-5-oxo-3-[(4-sulfamoylphenyl)methyl]-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of methyl 4-({[1-methyl-5-oxo-3-(4-sulfamoylbenzyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
Property Insights of methyl 4-({[1-methyl-5-oxo-3-(4-sulfamoylbenzyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
The XLogP value of 1.0769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-({[1-methyl-5-oxo-3-(4-sulfamoylbenzyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate. The TPSA of 139.11 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-({[1-methyl-5-oxo-3-(4-sulfamoylbenzyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, methyl 4-({[1-methyl-5-oxo-3-(4-sulfamoylbenzyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate has 2 hydrogen bond donor(s) and 7 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 methyl 4-({[1-methyl-5-oxo-3-(4-sulfamoylbenzyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The CAS number of methyl 4-({[1-methyl-5-oxo-3-(4-sulfamoylbenzyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is 384802-56-6.
What is the molecular formula of methyl 4-({[1-methyl-5-oxo-3-(4-sulfamoylbenzyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The molecular formula of methyl 4-({[1-methyl-5-oxo-3-(4-sulfamoylbenzyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is C21H22N4O6S2.
What is the molecular weight of methyl 4-({[1-methyl-5-oxo-3-(4-sulfamoylbenzyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The molecular weight of methyl 4-({[1-methyl-5-oxo-3-(4-sulfamoylbenzyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is 490.10 g/mol.
Where can I buy methyl 4-({[1-methyl-5-oxo-3-(4-sulfamoylbenzyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
You can request a quote for methyl 4-({[1-methyl-5-oxo-3-(4-sulfamoylbenzyl)-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-methyl-5-oxo-3-(4-sulfamoylbenzyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({[1-methyl-5-oxo-3-(4-sulfamoylbenzyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.