![methyl [5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-1-yl]acetate structure](/static/products/1022/1022919-60-3.webp)
methyl [5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-1-yl]acetate
TL;DR: methyl [5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-1-yl]acetate (CAS 1022919-60-3) is a chemical compound with molecular formula C22H22ClN3O4S and molecular weight 459.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-[2-(4-chloroanilino)-2-oxoethyl]-4-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-1-yl]acetate
Also Known As: methyl [5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-1-yl]acetate, methyl 2-(5-(2-((4-chlorophenyl)amino)-2-oxoethyl)-4-oxo-3-phenethyl-2-thioxoimidazolidin-1-yl)acetate, METHYL 2-(5-{[(4-CHLOROPHENYL)CARBAMOYL]METHYL}-4-OXO-3-(2-PHENYLETHYL)-2-SULFANYLIDENEIMIDAZOLIDIN-1-YL)ACETATE, methyl 2-[5-[2-(4-chloroanilino)-2-oxoethyl]-4-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-1-yl]acetate, methyl 2-[5-[2-(4-chloroanilino)-2-oxoethyl]-4-oxo-3-phenethyl-2-sulfanylideneimidazolidin-1-yl]acetate
| Molecular Formula | C22H22ClN3O4S |
|---|---|
| Molecular Weight | 459.10 g/mol |
| LogP | 2.882 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.10196 |
| Heavy Atoms | 31 |
| Complexity | 968.48114 |
Chemical Identifiers
| CAS Number | 1022919-60-3 |
|---|---|
| SMILES | COC(=O)CN1C(C(=O)N(C1=S)CCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)Cl |
Product Overview
methyl [5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-1-yl]acetate (CAS 1022919-60-3), with molecular formula C22H22ClN3O4S and molecular weight 459.10 g/mol. IUPAC: methyl 2-[5-[2-(4-chloroanilino)-2-oxoethyl]-4-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-1-yl]acetate.
Chemical Property Profile of methyl [5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-1-yl]acetate
Property Insights of methyl [5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-1-yl]acetate
The XLogP value of 2.882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl [5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-1-yl]acetate. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl [5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-1-yl]acetate. Following Lipinski's Rule of Five, methyl [5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-1-yl]acetate has 1 hydrogen bond donor(s) and 5 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 [5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-1-yl]acetate?
The CAS number of methyl [5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-1-yl]acetate is 1022919-60-3.
What is the molecular formula of methyl [5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-1-yl]acetate?
The molecular formula of methyl [5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-1-yl]acetate is C22H22ClN3O4S.
What is the molecular weight of methyl [5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-1-yl]acetate?
The molecular weight of methyl [5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-1-yl]acetate is 459.10 g/mol.
Where can I buy methyl [5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-1-yl]acetate?
You can request a quote for methyl [5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-1-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl [5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-1-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl [5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-1-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.