![6-[5-[[5-cyano-1-ethyl-4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid structure](/static/products/7063/7063-84-5.webp)
6-[5-[[5-cyano-1-ethyl-4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
TL;DR: 6-[5-[[5-cyano-1-ethyl-4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid (CAS 7063-84-5) is a chemical compound with molecular formula C29H33N5O4S2 and molecular weight 579.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[5-[[5-cyano-1-ethyl-4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)-3-pyridinyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Also Known As: 6-[5-[[5-cyano-1-ethyl-4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid, 6-(5-{[5-Cyano-1-ethyl-4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid
| Molecular Formula | C29H33N5O4S2 |
|---|---|
| Molecular Weight | 579.20 g/mol |
| LogP | 4.2211 |
| Topological Polar Surface Area | 109.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 579.1974 |
| Heavy Atoms | 40 |
| Complexity | 1422.6234 |
Chemical Identifiers
| CAS Number | 7063-84-5 |
|---|---|
| SMILES | CCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CCCCCC(=O)O)N3CCN(CC3)C4=CC=CC=C4 |
Product Overview
6-[5-[[5-cyano-1-ethyl-4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid (CAS 7063-84-5), with molecular formula C29H33N5O4S2 and molecular weight 579.20 g/mol. IUPAC: 6-[5-[[5-cyano-1-ethyl-4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)-3-pyridinyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid.
Chemical Property Profile of 6-[5-[[5-cyano-1-ethyl-4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Property Insights of 6-[5-[[5-cyano-1-ethyl-4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
The XLogP value of 4.2211 indicates that 6-[5-[[5-cyano-1-ethyl-4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[5-[[5-cyano-1-ethyl-4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid. Following Lipinski's Rule of Five, 6-[5-[[5-cyano-1-ethyl-4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid has 1 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 6-[5-[[5-cyano-1-ethyl-4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid?
The CAS number of 6-[5-[[5-cyano-1-ethyl-4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid is 7063-84-5.
What is the molecular formula of 6-[5-[[5-cyano-1-ethyl-4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid?
The molecular formula of 6-[5-[[5-cyano-1-ethyl-4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid is C29H33N5O4S2.
What is the molecular weight of 6-[5-[[5-cyano-1-ethyl-4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid?
The molecular weight of 6-[5-[[5-cyano-1-ethyl-4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid is 579.20 g/mol.
Where can I buy 6-[5-[[5-cyano-1-ethyl-4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid?
You can request a quote for 6-[5-[[5-cyano-1-ethyl-4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[5-[[5-cyano-1-ethyl-4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-[5-[[5-cyano-1-ethyl-4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.