![4-[5-({5-Cyano-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-oxo-1-propyl-1,6-dihydropyridin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid structure](/static/products/7064/7064-49-5.webp)
4-[5-({5-Cyano-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-oxo-1-propyl-1,6-dihydropyridin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
TL;DR: 4-[5-({5-Cyano-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-oxo-1-propyl-1,6-dihydropyridin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid (CAS 7064-49-5) is a chemical compound with molecular formula C28H30FN5O4S2 and molecular weight 583.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[[5-cyano-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-oxo-1-propyl-3-pyridinyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: 4-[5-({5-Cyano-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-oxo-1-propyl-1,6-dihydropyridin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid, 4-[5-[[5-cyano-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-oxo-1-propylpyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
| Molecular Formula | C28H30FN5O4S2 |
|---|---|
| Molecular Weight | 583.17 g/mol |
| LogP | 3.9701 |
| Topological Polar Surface Area | 109.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 583.1723 |
| Heavy Atoms | 40 |
| Complexity | 1474.2639 |
Chemical Identifiers
| CAS Number | 7064-49-5 |
|---|---|
| SMILES | CCCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CCCC(=O)O)N3CCN(CC3)C4=CC=CC=C4F |
Product Overview
4-[5-({5-Cyano-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-oxo-1-propyl-1,6-dihydropyridin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid (CAS 7064-49-5), with molecular formula C28H30FN5O4S2 and molecular weight 583.17 g/mol. IUPAC: 4-[5-[[5-cyano-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-oxo-1-propyl-3-pyridinyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of 4-[5-({5-Cyano-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-oxo-1-propyl-1,6-dihydropyridin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Property Insights of 4-[5-({5-Cyano-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-oxo-1-propyl-1,6-dihydropyridin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
The XLogP value of 3.9701 indicates that 4-[5-({5-Cyano-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-oxo-1-propyl-1,6-dihydropyridin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic 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 4-[5-({5-Cyano-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-oxo-1-propyl-1,6-dihydropyridin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid. Following Lipinski's Rule of Five, 4-[5-({5-Cyano-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-oxo-1-propyl-1,6-dihydropyridin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic 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 4-[5-({5-Cyano-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-oxo-1-propyl-1,6-dihydropyridin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid?
The CAS number of 4-[5-({5-Cyano-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-oxo-1-propyl-1,6-dihydropyridin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid is 7064-49-5.
What is the molecular formula of 4-[5-({5-Cyano-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-oxo-1-propyl-1,6-dihydropyridin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid?
The molecular formula of 4-[5-({5-Cyano-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-oxo-1-propyl-1,6-dihydropyridin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid is C28H30FN5O4S2.
What is the molecular weight of 4-[5-({5-Cyano-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-oxo-1-propyl-1,6-dihydropyridin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid?
The molecular weight of 4-[5-({5-Cyano-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-oxo-1-propyl-1,6-dihydropyridin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid is 583.17 g/mol.
Where can I buy 4-[5-({5-Cyano-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-oxo-1-propyl-1,6-dihydropyridin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid?
You can request a quote for 4-[5-({5-Cyano-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-oxo-1-propyl-1,6-dihydropyridin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[5-({5-Cyano-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-oxo-1-propyl-1,6-dihydropyridin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[5-({5-Cyano-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-6-oxo-1-propyl-1,6-dihydropyridin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.