![3-(5-{[5-Cyano-1,4-dimethyl-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/7063/7063-16-3.webp)
3-(5-{[5-Cyano-1,4-dimethyl-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-{[5-Cyano-1,4-dimethyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid (CAS 7063-16-3) is a chemical compound with molecular formula C19H20N4O5S2 and molecular weight 448.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(5-cyano-1,4-dimethyl-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-{[5-Cyano-1,4-dimethyl-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-[(5-cyano-1,4-dimethyl-2-morpholin-4-yl-6-oxopyridin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
| Molecular Formula | C19H20N4O5S2 |
|---|---|
| Molecular Weight | 448.09 g/mol |
| LogP | 1.0779 |
| Topological Polar Surface Area | 115.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.08752 |
| Heavy Atoms | 30 |
| Complexity | 1050.4752 |
Chemical Identifiers
| CAS Number | 7063-16-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)CCC(=O)O)N3CCOCC3)C)C#N |
Product Overview
3-(5-{[5-Cyano-1,4-dimethyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid (CAS 7063-16-3), with molecular formula C19H20N4O5S2 and molecular weight 448.09 g/mol. IUPAC: 3-[5-[(5-cyano-1,4-dimethyl-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-{[5-Cyano-1,4-dimethyl-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-{[5-Cyano-1,4-dimethyl-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 1.0779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-{[5-Cyano-1,4-dimethyl-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-{[5-Cyano-1,4-dimethyl-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-{[5-Cyano-1,4-dimethyl-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-{[5-Cyano-1,4-dimethyl-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-{[5-Cyano-1,4-dimethyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid is 7063-16-3.
What is the molecular formula of 3-(5-{[5-Cyano-1,4-dimethyl-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-{[5-Cyano-1,4-dimethyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid is C19H20N4O5S2.
What is the molecular weight of 3-(5-{[5-Cyano-1,4-dimethyl-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-{[5-Cyano-1,4-dimethyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid is 448.09 g/mol.
Where can I buy 3-(5-{[5-Cyano-1,4-dimethyl-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-{[5-Cyano-1,4-dimethyl-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-{[5-Cyano-1,4-dimethyl-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-{[5-Cyano-1,4-dimethyl-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.