![methyl (5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-phenyl-2-thioxoimidazolidin-1-yl)acetate structure](/static/products/103/1031247-86-5.png)
methyl (5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-phenyl-2-thioxoimidazolidin-1-yl)acetate
TL;DR: methyl (5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-phenyl-2-thioxoimidazolidin-1-yl)acetate (CAS 1031247-86-5) is a chemical compound with molecular formula C20H18ClN3O4S and molecular weight 431.07 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-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate
Also Known As: methyl (5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-phenyl-2-thioxoimidazolidin-1-yl)acetate, {5-[(4-Chloro-phenylcarbamoyl)-methyl]-4-oxo-3-phenyl-2-thioxo-imidazolidin-1-yl}-acetic acid methyl ester, methyl 2-(5-(2-((4-chlorophenyl)amino)-2-oxoethyl)-4-oxo-3-phenyl-2-thioxoimidazolidin-1-yl)acetate, METHYL 2-(5-{[(4-CHLOROPHENYL)CARBAMOYL]METHYL}-4-OXO-3-PHENYL-2-SULFANYLIDENEIMIDAZOLIDIN-1-YL)ACETATE, methyl 2-[5-[2-(4-chloroanilino)-2-oxoethyl]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate
| Molecular Formula | C20H18ClN3O4S |
|---|---|
| Molecular Weight | 431.07 g/mol |
| LogP | 2.8439 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.07065 |
| Heavy Atoms | 29 |
| Complexity | 936.5023 |
Chemical Identifiers
| CAS Number | 1031247-86-5 |
|---|---|
| SMILES | COC(=O)CN1C(C(=O)N(C1=S)C2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)Cl |
Product Overview
methyl (5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-phenyl-2-thioxoimidazolidin-1-yl)acetate (CAS 1031247-86-5), with molecular formula C20H18ClN3O4S and molecular weight 431.07 g/mol. IUPAC: methyl 2-[5-[2-(4-chloroanilino)-2-oxoethyl]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate.
Chemical Property Profile of methyl (5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-phenyl-2-thioxoimidazolidin-1-yl)acetate
Property Insights of methyl (5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-phenyl-2-thioxoimidazolidin-1-yl)acetate
The XLogP value of 2.8439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-phenyl-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-phenyl-2-thioxoimidazolidin-1-yl)acetate. Following Lipinski's Rule of Five, methyl (5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-phenyl-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-phenyl-2-thioxoimidazolidin-1-yl)acetate?
The CAS number of methyl (5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-phenyl-2-thioxoimidazolidin-1-yl)acetate is 1031247-86-5.
What is the molecular formula of methyl (5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-phenyl-2-thioxoimidazolidin-1-yl)acetate?
The molecular formula of methyl (5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-phenyl-2-thioxoimidazolidin-1-yl)acetate is C20H18ClN3O4S.
What is the molecular weight of methyl (5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-phenyl-2-thioxoimidazolidin-1-yl)acetate?
The molecular weight of methyl (5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-phenyl-2-thioxoimidazolidin-1-yl)acetate is 431.07 g/mol.
Where can I buy methyl (5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-phenyl-2-thioxoimidazolidin-1-yl)acetate?
You can request a quote for methyl (5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-phenyl-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-phenyl-2-thioxoimidazolidin-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-3-phenyl-2-thioxoimidazolidin-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.