![Ethyl 1-(5-cyano-3-{[3-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate structure](/static/products/7063/7063-77-6.webp)
Ethyl 1-(5-cyano-3-{[3-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate
TL;DR: Ethyl 1-(5-cyano-3-{[3-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate (CAS 7063-77-6) is a chemical compound with molecular formula C25H30N4O6S3 and molecular weight 578.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[5-cyano-3-[[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1-ethyl-4-methyl-6-oxo-2-pyridinyl]piperidine-3-carboxylate
Also Known As: Ethyl 1-(5-cyano-3-{[3-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate, ethyl 1-[5-cyano-3-[[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1-ethyl-4-methyl-6-oxopyridin-2-yl]piperidine-3-carboxylate
| Molecular Formula | C25H30N4O6S3 |
|---|---|
| Molecular Weight | 578.13 g/mol |
| LogP | 2.2161 |
| Topological Polar Surface Area | 129.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 578.13275 |
| Heavy Atoms | 38 |
| Complexity | 1425.6138 |
Chemical Identifiers
| CAS Number | 7063-77-6 |
|---|---|
| SMILES | CCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)C3CCS(=O)(=O)C3)N4CCCC(C4)C(=O)OCC |
Product Overview
Ethyl 1-(5-cyano-3-{[3-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate (CAS 7063-77-6), with molecular formula C25H30N4O6S3 and molecular weight 578.13 g/mol. IUPAC: ethyl 1-[5-cyano-3-[[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1-ethyl-4-methyl-6-oxo-2-pyridinyl]piperidine-3-carboxylate.
Chemical Property Profile of Ethyl 1-(5-cyano-3-{[3-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate
Property Insights of Ethyl 1-(5-cyano-3-{[3-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate
The XLogP value of 2.2161 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(5-cyano-3-{[3-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate. The TPSA of 129.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(5-cyano-3-{[3-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-(5-cyano-3-{[3-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 1-(5-cyano-3-{[3-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate?
The CAS number of Ethyl 1-(5-cyano-3-{[3-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate is 7063-77-6.
What is the molecular formula of Ethyl 1-(5-cyano-3-{[3-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate?
The molecular formula of Ethyl 1-(5-cyano-3-{[3-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate is C25H30N4O6S3.
What is the molecular weight of Ethyl 1-(5-cyano-3-{[3-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate?
The molecular weight of Ethyl 1-(5-cyano-3-{[3-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate is 578.13 g/mol.
Where can I buy Ethyl 1-(5-cyano-3-{[3-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate?
You can request a quote for Ethyl 1-(5-cyano-3-{[3-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(5-cyano-3-{[3-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(5-cyano-3-{[3-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.