![methyl 4-({[1-(3-chlorophenyl)-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate structure](/static/products/1025/1025019-45-7.webp)
methyl 4-({[1-(3-chlorophenyl)-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
TL;DR: methyl 4-({[1-(3-chlorophenyl)-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate (CAS 1025019-45-7) is a chemical compound with molecular formula C27H24ClN3O4S and molecular weight 521.1176 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[[2-[1-(3-chlorophenyl)-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: methyl 4-({[1-(3-chlorophenyl)-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate, Benzoic acid, 4-[[2-[1-(3-chlorophenyl)-5-oxo-3-(2-phenylethyl)-2-thioxo-4-imidazolidinyl]acetyl]amino]-, methyl ester, METHYL 4-{2-[1-(3-CHLOROPHENYL)-5-OXO-3-(2-PHENYLETHYL)-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL]ACETAMIDO}BENZOATE, Benzoic acid, 4-((2-(1-(3-chlorophenyl)-5-oxo-3-(2-phenylethyl)-2-thioxo-4-imidazolidinyl)acetyl)amino)-, methyl ester, methyl 4-(2-(1-(3-chlorophenyl)-5-oxo-3-phenethyl-2-thioxoimidazolidin-4-yl)acetamido)benzoate
Technical Specifications
| Molecular Formula | C27H24ClN3O4S |
| Molecular Weight | 521.1176 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 521.1176 Da |
| Heavy Atoms | 36 |
| Complexity | 813.0 |
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC3=CC=CC=C3)C4=CC(=CC=C4)Cl |
| InChIKey | RBGWAPIIQIECBN-UHFFFAOYSA-N |
Chemical Property Profile of methyl 4-({[1-(3-chlorophenyl)-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
Property Insights of methyl 4-({[1-(3-chlorophenyl)-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
The XLogP value of 4.8 indicates that methyl 4-({[1-(3-chlorophenyl)-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-({[1-(3-chlorophenyl)-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, methyl 4-({[1-(3-chlorophenyl)-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of methyl 4-({[1-(3-chlorophenyl)-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The CAS number of methyl 4-({[1-(3-chlorophenyl)-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is 1025019-45-7.
What is the molecular formula of methyl 4-({[1-(3-chlorophenyl)-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The molecular formula of methyl 4-({[1-(3-chlorophenyl)-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is C27H24ClN3O4S.
What is the molecular weight of methyl 4-({[1-(3-chlorophenyl)-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The molecular weight of methyl 4-({[1-(3-chlorophenyl)-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is 521.1176 g/mol.
Where can I buy methyl 4-({[1-(3-chlorophenyl)-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
You can request a quote for methyl 4-({[1-(3-chlorophenyl)-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 4-({[1-(3-chlorophenyl)-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
Yes, CoreyChem provides custom synthesis services for methyl 4-({[1-(3-chlorophenyl)-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.