![Ethyl 1-(1-butyl-5-cyano-3-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate structure](/static/products/7065/7065-01-2.webp)
Ethyl 1-(1-butyl-5-cyano-3-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate
TL;DR: Ethyl 1-(1-butyl-5-cyano-3-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate (CAS 7065-01-2) is a chemical compound with molecular formula C31H44N4O4S2 and molecular weight 600.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[1-butyl-5-cyano-3-[[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxo-2-pyridinyl]piperidine-3-carboxylate
Also Known As: Ethyl 1-(1-butyl-5-cyano-3-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate, ethyl 1-[1-butyl-5-cyano-3-[[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxopyridin-2-yl]piperidine-3-carboxylate
| Molecular Formula | C31H44N4O4S2 |
|---|---|
| Molecular Weight | 600.28 g/mol |
| LogP | 6.0256 |
| Topological Polar Surface Area | 95.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 600.2804 |
| Heavy Atoms | 41 |
| Complexity | 1266.0381 |
Chemical Identifiers
| CAS Number | 7065-01-2 |
|---|---|
| SMILES | CCCCC(CC)CN1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)CCCC)N3CCCC(C3)C(=O)OCC)SC1=S |
Product Overview
Ethyl 1-(1-butyl-5-cyano-3-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate (CAS 7065-01-2), with molecular formula C31H44N4O4S2 and molecular weight 600.28 g/mol. IUPAC: ethyl 1-[1-butyl-5-cyano-3-[[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxo-2-pyridinyl]piperidine-3-carboxylate.
Chemical Property Profile of Ethyl 1-(1-butyl-5-cyano-3-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate
Property Insights of Ethyl 1-(1-butyl-5-cyano-3-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate
The XLogP value of 6.0256 indicates that Ethyl 1-(1-butyl-5-cyano-3-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(1-butyl-5-cyano-3-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-(1-butyl-5-cyano-3-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate has 0 hydrogen bond donor(s) and 8 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-(1-butyl-5-cyano-3-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate?
The CAS number of Ethyl 1-(1-butyl-5-cyano-3-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate is 7065-01-2.
What is the molecular formula of Ethyl 1-(1-butyl-5-cyano-3-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate?
The molecular formula of Ethyl 1-(1-butyl-5-cyano-3-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate is C31H44N4O4S2.
What is the molecular weight of Ethyl 1-(1-butyl-5-cyano-3-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate?
The molecular weight of Ethyl 1-(1-butyl-5-cyano-3-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate is 600.28 g/mol.
Where can I buy Ethyl 1-(1-butyl-5-cyano-3-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate?
You can request a quote for Ethyl 1-(1-butyl-5-cyano-3-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-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-(1-butyl-5-cyano-3-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(1-butyl-5-cyano-3-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-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.