![3-(5-{[1-Butyl-5-cyano-4-methyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid structure](/static/products/7064/7064-64-4.webp)
3-(5-{[1-Butyl-5-cyano-4-methyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
TL;DR: 3-(5-{[1-Butyl-5-cyano-4-methyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid (CAS 7064-64-4) is a chemical compound with molecular formula C22H26N4O5S2 and molecular weight 490.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(1-butyl-5-cyano-4-methyl-2-morpholin-4-yl-6-oxo-3-pyridinyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: 3-(5-{[1-Butyl-5-cyano-4-methyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid, 3-[5-[(1-butyl-5-cyano-4-methyl-2-morpholin-4-yl-6-oxopyridin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
| Molecular Formula | C22H26N4O5S2 |
|---|---|
| Molecular Weight | 490.13 g/mol |
| LogP | 2.341 |
| Topological Polar Surface Area | 115.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 490.13446 |
| Heavy Atoms | 33 |
| Complexity | 1099.4741 |
Chemical Identifiers
| CAS Number | 7064-64-4 |
|---|---|
| SMILES | CCCCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CCC(=O)O)N3CCOCC3 |
Product Overview
3-(5-{[1-Butyl-5-cyano-4-methyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid (CAS 7064-64-4), with molecular formula C22H26N4O5S2 and molecular weight 490.13 g/mol. IUPAC: 3-[5-[(1-butyl-5-cyano-4-methyl-2-morpholin-4-yl-6-oxo-3-pyridinyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of 3-(5-{[1-Butyl-5-cyano-4-methyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Property Insights of 3-(5-{[1-Butyl-5-cyano-4-methyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
The XLogP value of 2.341 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-{[1-Butyl-5-cyano-4-methyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid. The TPSA of 115.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-{[1-Butyl-5-cyano-4-methyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(5-{[1-Butyl-5-cyano-4-methyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(5-{[1-Butyl-5-cyano-4-methyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid?
The CAS number of 3-(5-{[1-Butyl-5-cyano-4-methyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid is 7064-64-4.
What is the molecular formula of 3-(5-{[1-Butyl-5-cyano-4-methyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid?
The molecular formula of 3-(5-{[1-Butyl-5-cyano-4-methyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid is C22H26N4O5S2.
What is the molecular weight of 3-(5-{[1-Butyl-5-cyano-4-methyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid?
The molecular weight of 3-(5-{[1-Butyl-5-cyano-4-methyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid is 490.13 g/mol.
Where can I buy 3-(5-{[1-Butyl-5-cyano-4-methyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid?
You can request a quote for 3-(5-{[1-Butyl-5-cyano-4-methyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-{[1-Butyl-5-cyano-4-methyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-{[1-Butyl-5-cyano-4-methyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.