![ethyl (4-{(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate structure](/static/products/4256/425654-46-2.webp)
ethyl (4-{(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate
TL;DR: ethyl (4-{(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate (CAS 425654-46-2) is a chemical compound with molecular formula C21H16Cl2N2O5S and molecular weight 478.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetate
Also Known As: ethyl (4-{(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate, (E)-ethyl 2-(4-((1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetate, ethyl 2-[4-[(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetate
| Molecular Formula | C21H16Cl2N2O5S |
|---|---|
| Molecular Weight | 478.02 g/mol |
| LogP | 3.7666 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.0157 |
| Heavy Atoms | 31 |
| Complexity | 1085.6777 |
Chemical Identifiers
| CAS Number | 425654-46-2 |
|---|---|
| SMILES | CCOC(=O)COC1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=C(C(=CC=C3)Cl)Cl |
Product Overview
ethyl (4-{(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate (CAS 425654-46-2), with molecular formula C21H16Cl2N2O5S and molecular weight 478.02 g/mol. IUPAC: ethyl 2-[4-[(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetate.
Chemical Property Profile of ethyl (4-{(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate
Property Insights of ethyl (4-{(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate
The XLogP value of 3.7666 indicates that ethyl (4-{(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (4-{(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate. Following Lipinski's Rule of Five, ethyl (4-{(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate has 1 hydrogen bond donor(s) and 6 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 ethyl (4-{(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate?
The CAS number of ethyl (4-{(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate is 425654-46-2.
What is the molecular formula of ethyl (4-{(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate?
The molecular formula of ethyl (4-{(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate is C21H16Cl2N2O5S.
What is the molecular weight of ethyl (4-{(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate?
The molecular weight of ethyl (4-{(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate is 478.02 g/mol.
Where can I buy ethyl (4-{(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate?
You can request a quote for ethyl (4-{(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (4-{(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (4-{(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.