![(Z)-4-(5-((2-((3-isopropoxypropyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid structure](/static/products/836/836638-05-2.png)
(Z)-4-(5-((2-((3-isopropoxypropyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
TL;DR: (Z)-4-(5-((2-((3-isopropoxypropyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid (CAS 836638-05-2) 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.
4-[(5Z)-4-oxo-5-[[4-oxo-2-(3-propan-2-yloxypropylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: (Z)-4-(5-((2-((3-isopropoxypropyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid, 4-[(5Z)-4-oxo-5-[[4-oxo-2-(3-propan-2-yloxypropylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid, 4-{(5Z)-4-oxo-5-[(4-oxo-2-{[3-(propan-2-yloxy)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid
| Molecular Formula | C22H26N4O5S2 |
|---|---|
| Molecular Weight | 490.13 g/mol |
| LogP | 2.9875 |
| Topological Polar Surface Area | 113.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 490.13446 |
| Heavy Atoms | 33 |
| Complexity | 1145.2976 |
Chemical Identifiers
| CAS Number | 836638-05-2 |
|---|---|
| SMILES | CC(C)OCCCNC1=C(C(=O)N2C=CC=CC2=N1)/C=C\3/C(=O)N(C(=S)S3)CCCC(=O)O |
Product Overview
(Z)-4-(5-((2-((3-isopropoxypropyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid (CAS 836638-05-2), with molecular formula C22H26N4O5S2 and molecular weight 490.13 g/mol. IUPAC: 4-[(5Z)-4-oxo-5-[[4-oxo-2-(3-propan-2-yloxypropylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of (Z)-4-(5-((2-((3-isopropoxypropyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
Property Insights of (Z)-4-(5-((2-((3-isopropoxypropyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
The XLogP value of 2.9875 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-4-(5-((2-((3-isopropoxypropyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid. The TPSA of 113.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-(5-((2-((3-isopropoxypropyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid. Following Lipinski's Rule of Five, (Z)-4-(5-((2-((3-isopropoxypropyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid has 2 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 (Z)-4-(5-((2-((3-isopropoxypropyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
The CAS number of (Z)-4-(5-((2-((3-isopropoxypropyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid is 836638-05-2.
What is the molecular formula of (Z)-4-(5-((2-((3-isopropoxypropyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
The molecular formula of (Z)-4-(5-((2-((3-isopropoxypropyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid is C22H26N4O5S2.
What is the molecular weight of (Z)-4-(5-((2-((3-isopropoxypropyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
The molecular weight of (Z)-4-(5-((2-((3-isopropoxypropyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid is 490.13 g/mol.
Where can I buy (Z)-4-(5-((2-((3-isopropoxypropyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
You can request a quote for (Z)-4-(5-((2-((3-isopropoxypropyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-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 (Z)-4-(5-((2-((3-isopropoxypropyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-(5-((2-((3-isopropoxypropyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.