![ethyl 4-(5-{(E)-[5-cyano-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate structure](/static/products/877/877804-57-4.png)
ethyl 4-(5-{(E)-[5-cyano-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate
TL;DR: ethyl 4-(5-{(E)-[5-cyano-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate (CAS 877804-57-4) is a chemical compound with molecular formula C25H22N2O7S and molecular weight 494.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[5-[(E)-[5-cyano-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-3-pyridinylidene]methyl]furan-2-yl]benzoate
Also Known As: ethyl 4-(5-{(E)-[5-cyano-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate, ethyl 4-[5-[(E)-[5-cyano-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridin-3-ylidene]methyl]furan-2-yl]benzoate, (E)-ethyl 4-(5-((5-cyano-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)methyl)furan-2-yl)benzoate, ethyl 4-(5-{[5-cyano-1-(1,1-dioxo-1lambda6-thiolan-3-yl)-4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyridin-3-ylidene]methyl}furan-2-yl)benzoate
| Molecular Formula | C25H22N2O7S |
|---|---|
| Molecular Weight | 494.11 g/mol |
| LogP | 2.90268 |
| Topological Polar Surface Area | 134.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 494.11478 |
| Heavy Atoms | 35 |
| Complexity | 1422.7224 |
Chemical Identifiers
| CAS Number | 877804-57-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C/3\C(=C(C(=O)N(C3=O)C4CCS(=O)(=O)C4)C#N)C |
Product Overview
ethyl 4-(5-{(E)-[5-cyano-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate (CAS 877804-57-4), with molecular formula C25H22N2O7S and molecular weight 494.11 g/mol. IUPAC: ethyl 4-[5-[(E)-[5-cyano-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-3-pyridinylidene]methyl]furan-2-yl]benzoate.
Chemical Property Profile of ethyl 4-(5-{(E)-[5-cyano-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate
Property Insights of ethyl 4-(5-{(E)-[5-cyano-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate
The XLogP value of 2.90268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(5-{(E)-[5-cyano-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate. The TPSA of 134.75 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(5-{(E)-[5-cyano-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate. Following Lipinski's Rule of Five, ethyl 4-(5-{(E)-[5-cyano-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate has 0 hydrogen bond donor(s) and 8 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-(5-{(E)-[5-cyano-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate?
The CAS number of ethyl 4-(5-{(E)-[5-cyano-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate is 877804-57-4.
What is the molecular formula of ethyl 4-(5-{(E)-[5-cyano-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate?
The molecular formula of ethyl 4-(5-{(E)-[5-cyano-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate is C25H22N2O7S.
What is the molecular weight of ethyl 4-(5-{(E)-[5-cyano-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate?
The molecular weight of ethyl 4-(5-{(E)-[5-cyano-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate is 494.11 g/mol.
Where can I buy ethyl 4-(5-{(E)-[5-cyano-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate?
You can request a quote for ethyl 4-(5-{(E)-[5-cyano-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(5-{(E)-[5-cyano-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(5-{(E)-[5-cyano-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.