![11-(5-{[1-Butyl-5-cyano-4-methyl-2-(4-methylpiperazin-1-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid structure](/static/products/7064/7064-83-7.webp)
11-(5-{[1-Butyl-5-cyano-4-methyl-2-(4-methylpiperazin-1-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid
TL;DR: 11-(5-{[1-Butyl-5-cyano-4-methyl-2-(4-methylpiperazin-1-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid (CAS 7064-83-7) is a chemical compound with molecular formula C31H45N5O4S2 and molecular weight 615.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[5-[[1-butyl-5-cyano-4-methyl-2-(4-methylpiperazin-1-yl)-6-oxo-3-pyridinyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid
Also Known As: 11-(5-{[1-Butyl-5-cyano-4-methyl-2-(4-methylpiperazin-1-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid, 11-[5-[[1-butyl-5-cyano-4-methyl-2-(4-methylpiperazin-1-yl)-6-oxopyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid
| Molecular Formula | C31H45N5O4S2 |
|---|---|
| Molecular Weight | 615.29 g/mol |
| LogP | 5.377 |
| Topological Polar Surface Area | 109.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 615.2913 |
| Heavy Atoms | 42 |
| Complexity | 1261.2462 |
Chemical Identifiers
| CAS Number | 7064-83-7 |
|---|---|
| SMILES | CCCCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CCCCCCCCCCC(=O)O)N3CCN(CC3)C |
Product Overview
11-(5-{[1-Butyl-5-cyano-4-methyl-2-(4-methylpiperazin-1-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid (CAS 7064-83-7), with molecular formula C31H45N5O4S2 and molecular weight 615.29 g/mol. IUPAC: 11-[5-[[1-butyl-5-cyano-4-methyl-2-(4-methylpiperazin-1-yl)-6-oxo-3-pyridinyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid.
Chemical Property Profile of 11-(5-{[1-Butyl-5-cyano-4-methyl-2-(4-methylpiperazin-1-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid
Property Insights of 11-(5-{[1-Butyl-5-cyano-4-methyl-2-(4-methylpiperazin-1-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid
The XLogP value of 5.377 indicates that 11-(5-{[1-Butyl-5-cyano-4-methyl-2-(4-methylpiperazin-1-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic 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 11-(5-{[1-Butyl-5-cyano-4-methyl-2-(4-methylpiperazin-1-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid. Following Lipinski's Rule of Five, 11-(5-{[1-Butyl-5-cyano-4-methyl-2-(4-methylpiperazin-1-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic 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 11-(5-{[1-Butyl-5-cyano-4-methyl-2-(4-methylpiperazin-1-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid?
The CAS number of 11-(5-{[1-Butyl-5-cyano-4-methyl-2-(4-methylpiperazin-1-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid is 7064-83-7.
What is the molecular formula of 11-(5-{[1-Butyl-5-cyano-4-methyl-2-(4-methylpiperazin-1-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid?
The molecular formula of 11-(5-{[1-Butyl-5-cyano-4-methyl-2-(4-methylpiperazin-1-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid is C31H45N5O4S2.
What is the molecular weight of 11-(5-{[1-Butyl-5-cyano-4-methyl-2-(4-methylpiperazin-1-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid?
The molecular weight of 11-(5-{[1-Butyl-5-cyano-4-methyl-2-(4-methylpiperazin-1-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid is 615.29 g/mol.
Where can I buy 11-(5-{[1-Butyl-5-cyano-4-methyl-2-(4-methylpiperazin-1-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid?
You can request a quote for 11-(5-{[1-Butyl-5-cyano-4-methyl-2-(4-methylpiperazin-1-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-(5-{[1-Butyl-5-cyano-4-methyl-2-(4-methylpiperazin-1-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 11-(5-{[1-Butyl-5-cyano-4-methyl-2-(4-methylpiperazin-1-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.