![ethyl 1-[1-butyl-5-cyano-3-[[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxopyridin-2-yl]piperidine-4-carboxylate structure](/static/products/7065/7065-06-7.webp)
ethyl 1-[1-butyl-5-cyano-3-[[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxopyridin-2-yl]piperidine-4-carboxylate
TL;DR: ethyl 1-[1-butyl-5-cyano-3-[[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxopyridin-2-yl]piperidine-4-carboxylate (CAS 7065-06-7) is a chemical compound with molecular formula C28H38N4O5S2 and molecular weight 574.23 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-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxo-2-pyridinyl]piperidine-4-carboxylate
Also Known As: ethyl 1-[1-butyl-5-cyano-3-[[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxopyridin-2-yl]piperidine-4-carboxylate, Ethyl 1-(1-butyl-5-cyano-3-{[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)piperidine-4-carboxylate
| Molecular Formula | C28H38N4O5S2 |
|---|---|
| Molecular Weight | 574.23 g/mol |
| LogP | 4.2358 |
| Topological Polar Surface Area | 104.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 574.22833 |
| Heavy Atoms | 39 |
| Complexity | 1211.776 |
Chemical Identifiers
| CAS Number | 7065-06-7 |
|---|---|
| SMILES | CCCCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CCCOCC)N3CCC(CC3)C(=O)OCC |
Product Overview
ethyl 1-[1-butyl-5-cyano-3-[[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxopyridin-2-yl]piperidine-4-carboxylate (CAS 7065-06-7), with molecular formula C28H38N4O5S2 and molecular weight 574.23 g/mol. IUPAC: ethyl 1-[1-butyl-5-cyano-3-[[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxo-2-pyridinyl]piperidine-4-carboxylate.
Chemical Property Profile of ethyl 1-[1-butyl-5-cyano-3-[[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxopyridin-2-yl]piperidine-4-carboxylate
Property Insights of ethyl 1-[1-butyl-5-cyano-3-[[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxopyridin-2-yl]piperidine-4-carboxylate
The XLogP value of 4.2358 indicates that ethyl 1-[1-butyl-5-cyano-3-[[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxopyridin-2-yl]piperidine-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.87 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1-[1-butyl-5-cyano-3-[[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxopyridin-2-yl]piperidine-4-carboxylate. Following Lipinski's Rule of Five, ethyl 1-[1-butyl-5-cyano-3-[[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxopyridin-2-yl]piperidine-4-carboxylate has 0 hydrogen bond donor(s) and 9 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-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxopyridin-2-yl]piperidine-4-carboxylate?
The CAS number of ethyl 1-[1-butyl-5-cyano-3-[[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxopyridin-2-yl]piperidine-4-carboxylate is 7065-06-7.
What is the molecular formula of ethyl 1-[1-butyl-5-cyano-3-[[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxopyridin-2-yl]piperidine-4-carboxylate?
The molecular formula of ethyl 1-[1-butyl-5-cyano-3-[[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxopyridin-2-yl]piperidine-4-carboxylate is C28H38N4O5S2.
What is the molecular weight of ethyl 1-[1-butyl-5-cyano-3-[[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxopyridin-2-yl]piperidine-4-carboxylate?
The molecular weight of ethyl 1-[1-butyl-5-cyano-3-[[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxopyridin-2-yl]piperidine-4-carboxylate is 574.23 g/mol.
Where can I buy ethyl 1-[1-butyl-5-cyano-3-[[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxopyridin-2-yl]piperidine-4-carboxylate?
You can request a quote for ethyl 1-[1-butyl-5-cyano-3-[[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxopyridin-2-yl]piperidine-4-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-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxopyridin-2-yl]piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-[1-butyl-5-cyano-3-[[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxopyridin-2-yl]piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.