![ethyl 1-[5-cyano-3-[[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-oxopyridin-2-yl]piperidine-3-carboxylate structure](/static/products/7063/7063-39-0.webp)
ethyl 1-[5-cyano-3-[[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-oxopyridin-2-yl]piperidine-3-carboxylate
TL;DR: ethyl 1-[5-cyano-3-[[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-oxopyridin-2-yl]piperidine-3-carboxylate (CAS 7063-39-0) is a chemical compound with molecular formula C29H32N4O5S2 and molecular weight 580.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[5-cyano-3-[[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-oxo-2-pyridinyl]piperidine-3-carboxylate
Also Known As: ethyl 1-[5-cyano-3-[[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-oxopyridin-2-yl]piperidine-3-carboxylate, Ethyl 1-[5-cyano-3-({3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-1,4-dimethyl-6-oxo-1,6-dihydropyridin-2-yl]piperidine-3-carboxylate
| Molecular Formula | C29H32N4O5S2 |
|---|---|
| Molecular Weight | 580.18 g/mol |
| LogP | 3.7974 |
| Topological Polar Surface Area | 104.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 580.1814 |
| Heavy Atoms | 40 |
| Complexity | 1458.7384 |
Chemical Identifiers
| CAS Number | 7063-39-0 |
|---|---|
| SMILES | CCOC(=O)C1CCCN(C1)C2=C(C(=C(C(=O)N2C)C#N)C)C=C3C(=O)N(C(=S)S3)CCC4=CC=C(C=C4)OC |
Product Overview
ethyl 1-[5-cyano-3-[[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-oxopyridin-2-yl]piperidine-3-carboxylate (CAS 7063-39-0), with molecular formula C29H32N4O5S2 and molecular weight 580.18 g/mol. IUPAC: ethyl 1-[5-cyano-3-[[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-oxo-2-pyridinyl]piperidine-3-carboxylate.
Chemical Property Profile of ethyl 1-[5-cyano-3-[[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-oxopyridin-2-yl]piperidine-3-carboxylate
Property Insights of ethyl 1-[5-cyano-3-[[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-oxopyridin-2-yl]piperidine-3-carboxylate
The XLogP value of 3.7974 indicates that ethyl 1-[5-cyano-3-[[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-oxopyridin-2-yl]piperidine-3-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-[5-cyano-3-[[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-oxopyridin-2-yl]piperidine-3-carboxylate. Following Lipinski's Rule of Five, ethyl 1-[5-cyano-3-[[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-oxopyridin-2-yl]piperidine-3-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-[5-cyano-3-[[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-oxopyridin-2-yl]piperidine-3-carboxylate?
The CAS number of ethyl 1-[5-cyano-3-[[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-oxopyridin-2-yl]piperidine-3-carboxylate is 7063-39-0.
What is the molecular formula of ethyl 1-[5-cyano-3-[[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-oxopyridin-2-yl]piperidine-3-carboxylate?
The molecular formula of ethyl 1-[5-cyano-3-[[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-oxopyridin-2-yl]piperidine-3-carboxylate is C29H32N4O5S2.
What is the molecular weight of ethyl 1-[5-cyano-3-[[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-oxopyridin-2-yl]piperidine-3-carboxylate?
The molecular weight of ethyl 1-[5-cyano-3-[[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-oxopyridin-2-yl]piperidine-3-carboxylate is 580.18 g/mol.
Where can I buy ethyl 1-[5-cyano-3-[[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-oxopyridin-2-yl]piperidine-3-carboxylate?
You can request a quote for ethyl 1-[5-cyano-3-[[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-oxopyridin-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-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-oxopyridin-2-yl]piperidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-[5-cyano-3-[[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-oxopyridin-2-yl]piperidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.