![methyl 4-[({3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate structure](/static/products/103/1031388-67-6.webp)
methyl 4-[({3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
TL;DR: methyl 4-[({3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate (CAS 1031388-67-6) is a chemical compound with molecular formula C29H28ClN3O4S and molecular weight 549.1489 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[[2-[3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: methyl 4-[({3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate, methyl 4-(2-(3-(4-chlorophenethyl)-5-oxo-1-phenethyl-2-thioxoimidazolidin-4-yl)acetamido)benzoate, METHYL 4-(2-{3-[2-(4-CHLOROPHENYL)ETHYL]-5-OXO-1-(2-PHENYLETHYL)-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL}ACETAMIDO)BENZOATE, methyl 4-[[2-[3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-phenethyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Technical Specifications
| Molecular Formula | C29H28ClN3O4S |
| Molecular Weight | 549.1489 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 549.1489 Da |
| Heavy Atoms | 38 |
| Complexity | 836.0 |
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC3=CC=C(C=C3)Cl)CCC4=CC=CC=C4 |
| InChIKey | OPMPRVXDPUKFFB-UHFFFAOYSA-N |
Chemical Property Profile of methyl 4-[({3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
Property Insights of methyl 4-[({3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
The XLogP value of 5.2 indicates that methyl 4-[({3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(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-[({3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate. Following Lipinski's Rule of Five, methyl 4-[({3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(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-[({3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
The CAS number of methyl 4-[({3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is 1031388-67-6.
What is the molecular formula of methyl 4-[({3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
The molecular formula of methyl 4-[({3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is C29H28ClN3O4S.
What is the molecular weight of methyl 4-[({3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
The molecular weight of methyl 4-[({3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is 549.1489 g/mol.
Where can I buy methyl 4-[({3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
You can request a quote for methyl 4-[({3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(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-[({3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
Yes, CoreyChem provides custom synthesis services for methyl 4-[({3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.