![methyl 4-({[1-(4-chlorophenyl)-3-(2-methoxy-2-oxoethyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate structure](/static/products/585/585518-40-7.png)
methyl 4-({[1-(4-chlorophenyl)-3-(2-methoxy-2-oxoethyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
TL;DR: methyl 4-({[1-(4-chlorophenyl)-3-(2-methoxy-2-oxoethyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate (CAS 585518-40-7) is a chemical compound with molecular formula C22H20ClN3O6S and molecular weight 489.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[1-(4-chlorophenyl)-3-(2-methoxy-2-oxoethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: methyl 4-({[1-(4-chlorophenyl)-3-(2-methoxy-2-oxoethyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate, methyl 4-(2-(1-(4-chlorophenyl)-3-(2-methoxy-2-oxoethyl)-5-oxo-2-thioxoimidazolidin-4-yl)acetamido)benzoate, methyl 4-[[2-[1-(4-chlorophenyl)-3-(2-methoxy-2-oxoethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
| Molecular Formula | C22H20ClN3O6S |
|---|---|
| Molecular Weight | 489.08 g/mol |
| LogP | 2.6305 |
| Topological Polar Surface Area | 105.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.07614 |
| Heavy Atoms | 33 |
| Complexity | 1090.315 |
Chemical Identifiers
| CAS Number | 585518-40-7 |
|---|---|
| SMILES | COC(=O)CN1C(C(=O)N(C1=S)C2=CC=C(C=C2)Cl)CC(=O)NC3=CC=C(C=C3)C(=O)OC |
Product Overview
methyl 4-({[1-(4-chlorophenyl)-3-(2-methoxy-2-oxoethyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate (CAS 585518-40-7), with molecular formula C22H20ClN3O6S and molecular weight 489.08 g/mol. IUPAC: methyl 4-[[2-[1-(4-chlorophenyl)-3-(2-methoxy-2-oxoethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of methyl 4-({[1-(4-chlorophenyl)-3-(2-methoxy-2-oxoethyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
Property Insights of methyl 4-({[1-(4-chlorophenyl)-3-(2-methoxy-2-oxoethyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
The XLogP value of 2.6305 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-({[1-(4-chlorophenyl)-3-(2-methoxy-2-oxoethyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate. The TPSA of 105.25 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-({[1-(4-chlorophenyl)-3-(2-methoxy-2-oxoethyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, methyl 4-({[1-(4-chlorophenyl)-3-(2-methoxy-2-oxoethyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate has 1 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-(4-chlorophenyl)-3-(2-methoxy-2-oxoethyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The CAS number of methyl 4-({[1-(4-chlorophenyl)-3-(2-methoxy-2-oxoethyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is 585518-40-7.
What is the molecular formula of methyl 4-({[1-(4-chlorophenyl)-3-(2-methoxy-2-oxoethyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The molecular formula of methyl 4-({[1-(4-chlorophenyl)-3-(2-methoxy-2-oxoethyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is C22H20ClN3O6S.
What is the molecular weight of methyl 4-({[1-(4-chlorophenyl)-3-(2-methoxy-2-oxoethyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The molecular weight of methyl 4-({[1-(4-chlorophenyl)-3-(2-methoxy-2-oxoethyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is 489.08 g/mol.
Where can I buy methyl 4-({[1-(4-chlorophenyl)-3-(2-methoxy-2-oxoethyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
You can request a quote for methyl 4-({[1-(4-chlorophenyl)-3-(2-methoxy-2-oxoethyl)-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 methyl 4-({[1-(4-chlorophenyl)-3-(2-methoxy-2-oxoethyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({[1-(4-chlorophenyl)-3-(2-methoxy-2-oxoethyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.