![Ethyl 1-[3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-cyano-1,4-dimethyl-6-oxo-1,6-dihydropyridin-2-yl]piperidine-4-carboxylate structure](/static/products/7063/7063-40-3.webp)
Ethyl 1-[3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-cyano-1,4-dimethyl-6-oxo-1,6-dihydropyridin-2-yl]piperidine-4-carboxylate
TL;DR: Ethyl 1-[3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-cyano-1,4-dimethyl-6-oxo-1,6-dihydropyridin-2-yl]piperidine-4-carboxylate (CAS 7063-40-3) is a chemical compound with molecular formula C28H28N4O6S2 and molecular weight 580.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[3-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-5-cyano-1,4-dimethyl-6-oxo-2-pyridinyl]piperidine-4-carboxylate
Also Known As: Ethyl 1-[3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-cyano-1,4-dimethyl-6-oxo-1,6-dihydropyridin-2-yl]piperidine-4-carboxylate, ethyl 1-[3-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-5-cyano-1,4-dimethyl-6-oxopyridin-2-yl]piperidine-4-carboxylate
| Molecular Formula | C28H28N4O6S2 |
|---|---|
| Molecular Weight | 580.14 g/mol |
| LogP | 3.475 |
| Topological Polar Surface Area | 114.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 580.145 |
| Heavy Atoms | 40 |
| Complexity | 1534.6602 |
Chemical Identifiers
| CAS Number | 7063-40-3 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C2=C(C(=C(C(=O)N2C)C#N)C)C=C3C(=O)N(C(=S)S3)CC4=CC5=C(C=C4)OCO5 |
Product Overview
Ethyl 1-[3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-cyano-1,4-dimethyl-6-oxo-1,6-dihydropyridin-2-yl]piperidine-4-carboxylate (CAS 7063-40-3), with molecular formula C28H28N4O6S2 and molecular weight 580.14 g/mol. IUPAC: ethyl 1-[3-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-5-cyano-1,4-dimethyl-6-oxo-2-pyridinyl]piperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-[3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-cyano-1,4-dimethyl-6-oxo-1,6-dihydropyridin-2-yl]piperidine-4-carboxylate
Property Insights of Ethyl 1-[3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-cyano-1,4-dimethyl-6-oxo-1,6-dihydropyridin-2-yl]piperidine-4-carboxylate
The XLogP value of 3.475 indicates that Ethyl 1-[3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-cyano-1,4-dimethyl-6-oxo-1,6-dihydropyridin-2-yl]piperidine-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-[3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-cyano-1,4-dimethyl-6-oxo-1,6-dihydropyridin-2-yl]piperidine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-[3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-cyano-1,4-dimethyl-6-oxo-1,6-dihydropyridin-2-yl]piperidine-4-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-[3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-cyano-1,4-dimethyl-6-oxo-1,6-dihydropyridin-2-yl]piperidine-4-carboxylate?
The CAS number of Ethyl 1-[3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-cyano-1,4-dimethyl-6-oxo-1,6-dihydropyridin-2-yl]piperidine-4-carboxylate is 7063-40-3.
What is the molecular formula of Ethyl 1-[3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-cyano-1,4-dimethyl-6-oxo-1,6-dihydropyridin-2-yl]piperidine-4-carboxylate?
The molecular formula of Ethyl 1-[3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-cyano-1,4-dimethyl-6-oxo-1,6-dihydropyridin-2-yl]piperidine-4-carboxylate is C28H28N4O6S2.
What is the molecular weight of Ethyl 1-[3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-cyano-1,4-dimethyl-6-oxo-1,6-dihydropyridin-2-yl]piperidine-4-carboxylate?
The molecular weight of Ethyl 1-[3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-cyano-1,4-dimethyl-6-oxo-1,6-dihydropyridin-2-yl]piperidine-4-carboxylate is 580.14 g/mol.
Where can I buy Ethyl 1-[3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-cyano-1,4-dimethyl-6-oxo-1,6-dihydropyridin-2-yl]piperidine-4-carboxylate?
You can request a quote for Ethyl 1-[3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-cyano-1,4-dimethyl-6-oxo-1,6-dihydropyridin-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-[3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-cyano-1,4-dimethyl-6-oxo-1,6-dihydropyridin-2-yl]piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-[3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-cyano-1,4-dimethyl-6-oxo-1,6-dihydropyridin-2-yl]piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.