![3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one structure](/static/products/638/638133-91-2.png)
3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
TL;DR: 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 638133-91-2) is a chemical compound with molecular formula C27H29N5O2S2 and molecular weight 519.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-butyl-5-[[7-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one, (Z)-3-butyl-5-((7-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-3-butyl-5-[[7-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 3-butyl-5-{[7-methyl-4-oxo-2-(4-phenylpiperazinyl)(5-hydropyridino[1,2-a]pyrim idin-3-yl)]methylene}-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C27H29N5O2S2 |
|---|---|
| Molecular Weight | 519.18 g/mol |
| LogP | 4.33082 |
| Topological Polar Surface Area | 61.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 519.1763 |
| Heavy Atoms | 36 |
| Complexity | 1394.5345 |
Chemical Identifiers
| CAS Number | 638133-91-2 |
|---|---|
| SMILES | CCCCN1C(=O)/C(=C/C2=C(N=C3C=CC(=CN3C2=O)C)N4CCN(CC4)C5=CC=CC=C5)/SC1=S |
Product Overview
3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 638133-91-2), with molecular formula C27H29N5O2S2 and molecular weight 519.18 g/mol. IUPAC: (5Z)-3-butyl-5-[[7-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Property Insights of 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
The XLogP value of 4.33082 indicates that 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one. Following Lipinski's Rule of Five, 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one has 0 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 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one?
The CAS number of 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one is 638133-91-2.
What is the molecular formula of 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular formula of 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one is C27H29N5O2S2.
What is the molecular weight of 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular weight of 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one is 519.18 g/mol.
Where can I buy 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one?
You can request a quote for 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.