![methyl {3-(4-fluorophenyl)-4-oxo-5-[2-oxo-2-(phenylamino)ethyl]-2-thioxoimidazolidin-1-yl}acetate structure](/static/products/1009/1009547-13-0.webp)
methyl {3-(4-fluorophenyl)-4-oxo-5-[2-oxo-2-(phenylamino)ethyl]-2-thioxoimidazolidin-1-yl}acetate
TL;DR: methyl {3-(4-fluorophenyl)-4-oxo-5-[2-oxo-2-(phenylamino)ethyl]-2-thioxoimidazolidin-1-yl}acetate (CAS 1009547-13-0) is a chemical compound with molecular formula C20H18FN3O4S and molecular weight 415.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-(2-anilino-2-oxoethyl)-3-(4-fluorophenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
Also Known As: methyl {3-(4-fluorophenyl)-4-oxo-5-[2-oxo-2-(phenylamino)ethyl]-2-thioxoimidazolidin-1-yl}acetate, methyl 2-[5-(2-anilino-2-oxoethyl)-3-(4-fluorophenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate, methyl [5-(2-anilino-2-oxoethyl)-3-(4-fluorophenyl)-4-oxo-2-thioxo-1-imidazolidinyl]acetate, methyl 2-(3-(4-fluorophenyl)-4-oxo-5-(2-oxo-2-(phenylamino)ethyl)-2-thioxoimidazolidin-1-yl)acetate, Opera_ID_680
| Molecular Formula | C20H18FN3O4S |
|---|---|
| Molecular Weight | 415.10 g/mol |
| LogP | 2.3296 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.10022 |
| Heavy Atoms | 29 |
| Complexity | 936.5023 |
Chemical Identifiers
| CAS Number | 1009547-13-0 |
|---|---|
| SMILES | COC(=O)CN1C(C(=O)N(C1=S)C2=CC=C(C=C2)F)CC(=O)NC3=CC=CC=C3 |
Product Overview
methyl {3-(4-fluorophenyl)-4-oxo-5-[2-oxo-2-(phenylamino)ethyl]-2-thioxoimidazolidin-1-yl}acetate (CAS 1009547-13-0), with molecular formula C20H18FN3O4S and molecular weight 415.10 g/mol. IUPAC: methyl 2-[5-(2-anilino-2-oxoethyl)-3-(4-fluorophenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate.
Chemical Property Profile of methyl {3-(4-fluorophenyl)-4-oxo-5-[2-oxo-2-(phenylamino)ethyl]-2-thioxoimidazolidin-1-yl}acetate
Property Insights of methyl {3-(4-fluorophenyl)-4-oxo-5-[2-oxo-2-(phenylamino)ethyl]-2-thioxoimidazolidin-1-yl}acetate
The XLogP value of 2.3296 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl {3-(4-fluorophenyl)-4-oxo-5-[2-oxo-2-(phenylamino)ethyl]-2-thioxoimidazolidin-1-yl}acetate. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl {3-(4-fluorophenyl)-4-oxo-5-[2-oxo-2-(phenylamino)ethyl]-2-thioxoimidazolidin-1-yl}acetate. Following Lipinski's Rule of Five, methyl {3-(4-fluorophenyl)-4-oxo-5-[2-oxo-2-(phenylamino)ethyl]-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 {3-(4-fluorophenyl)-4-oxo-5-[2-oxo-2-(phenylamino)ethyl]-2-thioxoimidazolidin-1-yl}acetate?
The CAS number of methyl {3-(4-fluorophenyl)-4-oxo-5-[2-oxo-2-(phenylamino)ethyl]-2-thioxoimidazolidin-1-yl}acetate is 1009547-13-0.
What is the molecular formula of methyl {3-(4-fluorophenyl)-4-oxo-5-[2-oxo-2-(phenylamino)ethyl]-2-thioxoimidazolidin-1-yl}acetate?
The molecular formula of methyl {3-(4-fluorophenyl)-4-oxo-5-[2-oxo-2-(phenylamino)ethyl]-2-thioxoimidazolidin-1-yl}acetate is C20H18FN3O4S.
What is the molecular weight of methyl {3-(4-fluorophenyl)-4-oxo-5-[2-oxo-2-(phenylamino)ethyl]-2-thioxoimidazolidin-1-yl}acetate?
The molecular weight of methyl {3-(4-fluorophenyl)-4-oxo-5-[2-oxo-2-(phenylamino)ethyl]-2-thioxoimidazolidin-1-yl}acetate is 415.10 g/mol.
Where can I buy methyl {3-(4-fluorophenyl)-4-oxo-5-[2-oxo-2-(phenylamino)ethyl]-2-thioxoimidazolidin-1-yl}acetate?
You can request a quote for methyl {3-(4-fluorophenyl)-4-oxo-5-[2-oxo-2-(phenylamino)ethyl]-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 {3-(4-fluorophenyl)-4-oxo-5-[2-oxo-2-(phenylamino)ethyl]-2-thioxoimidazolidin-1-yl}acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl {3-(4-fluorophenyl)-4-oxo-5-[2-oxo-2-(phenylamino)ethyl]-2-thioxoimidazolidin-1-yl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.