![(Z)-11-(5-((2-(isobutylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid structure](/static/products/608/608496-79-3.png)
(Z)-11-(5-((2-(isobutylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid
TL;DR: (Z)-11-(5-((2-(isobutylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid (CAS 608496-79-3) is a chemical compound with molecular formula C27H36N4O4S2 and molecular weight 544.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[(5Z)-5-[[2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid
Also Known As: (Z)-11-(5-((2-(isobutylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid, 11-[(5Z)-5-({2-[(2-methylpropyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid, 11-[(5Z)-5-[[2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid
| Molecular Formula | C27H36N4O4S2 |
|---|---|
| Molecular Weight | 544.22 g/mol |
| LogP | 5.5591 |
| Topological Polar Surface Area | 104.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 544.2178 |
| Heavy Atoms | 37 |
| Complexity | 1208.5996 |
Chemical Identifiers
| CAS Number | 608496-79-3 |
|---|---|
| SMILES | CC(C)CNC1=C(C(=O)N2C=CC=CC2=N1)/C=C\3/C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O |
Product Overview
(Z)-11-(5-((2-(isobutylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid (CAS 608496-79-3), with molecular formula C27H36N4O4S2 and molecular weight 544.22 g/mol. IUPAC: 11-[(5Z)-5-[[2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid.
Chemical Property Profile of (Z)-11-(5-((2-(isobutylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid
Property Insights of (Z)-11-(5-((2-(isobutylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid
The XLogP value of 5.5591 indicates that (Z)-11-(5-((2-(isobutylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.01 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-11-(5-((2-(isobutylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid. Following Lipinski's Rule of Five, (Z)-11-(5-((2-(isobutylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-11-(5-((2-(isobutylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid?
The CAS number of (Z)-11-(5-((2-(isobutylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid is 608496-79-3.
What is the molecular formula of (Z)-11-(5-((2-(isobutylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid?
The molecular formula of (Z)-11-(5-((2-(isobutylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid is C27H36N4O4S2.
What is the molecular weight of (Z)-11-(5-((2-(isobutylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid?
The molecular weight of (Z)-11-(5-((2-(isobutylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid is 544.22 g/mol.
Where can I buy (Z)-11-(5-((2-(isobutylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid?
You can request a quote for (Z)-11-(5-((2-(isobutylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-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 (Z)-11-(5-((2-(isobutylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-11-(5-((2-(isobutylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.