6-[(5Z)-5-{[2-(dipropylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
TL;DR: 6-[(5Z)-5-{[2-(dipropylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid (CAS 577963-07-6) is a chemical compound with molecular formula C24H30N4O4S2 and molecular weight 502.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(5Z)-5-[[2-(dipropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Also Known As: 6-[(5Z)-5-{[2-(dipropylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid, (Z)-6-(5-((2-(dipropylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)hexanoic acid, 6-(5-{[2-(dipropylamino)-4-oxo(5-hydropyridino[1,2-a]pyrimidin-3-yl)]methylene }-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoic acid, 6-[(5Z)-5-[[2-(dipropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
| Molecular Formula | C24H30N4O4S2 |
|---|---|
| Molecular Weight | 502.17 g/mol |
| LogP | 4.1671 |
| Topological Polar Surface Area | 95.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 502.17084 |
| Heavy Atoms | 34 |
| Complexity | 1155.3574 |
Chemical Identifiers
| CAS Number | 577963-07-6 |
|---|---|
| SMILES | CCCN(CCC)C1=C(C(=O)N2C=CC=CC2=N1)/C=C\3/C(=O)N(C(=S)S3)CCCCCC(=O)O |
Product Overview
6-[(5Z)-5-{[2-(dipropylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid (CAS 577963-07-6), with molecular formula C24H30N4O4S2 and molecular weight 502.17 g/mol. IUPAC: 6-[(5Z)-5-[[2-(dipropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid.
Chemical Property Profile of 6-[(5Z)-5-{[2-(dipropylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
Property Insights of 6-[(5Z)-5-{[2-(dipropylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
The XLogP value of 4.1671 indicates that 6-[(5Z)-5-{[2-(dipropylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(5Z)-5-{[2-(dipropylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid. Following Lipinski's Rule of Five, 6-[(5Z)-5-{[2-(dipropylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid has 1 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 6-[(5Z)-5-{[2-(dipropylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid?
The CAS number of 6-[(5Z)-5-{[2-(dipropylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid is 577963-07-6.
What is the molecular formula of 6-[(5Z)-5-{[2-(dipropylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid?
The molecular formula of 6-[(5Z)-5-{[2-(dipropylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid is C24H30N4O4S2.
What is the molecular weight of 6-[(5Z)-5-{[2-(dipropylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid?
The molecular weight of 6-[(5Z)-5-{[2-(dipropylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid is 502.17 g/mol.
Where can I buy 6-[(5Z)-5-{[2-(dipropylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid?
You can request a quote for 6-[(5Z)-5-{[2-(dipropylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[(5Z)-5-{[2-(dipropylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-[(5Z)-5-{[2-(dipropylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.