![3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one structure](/static/products/862/862193-01-9.png)
3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one
TL;DR: 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 862193-01-9) is a chemical compound with molecular formula C23H21N3O2S3 and molecular weight 467.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-butyl-5-[(9-methyl-4-oxo-2-phenylsulfanylpyrido[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]-9-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one, (Z)-3-butyl-5-((9-methyl-4-oxo-2-(phenylthio)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-3-butyl-5-[(9-methyl-4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-3-BUTYL-5-{[9-METHYL-4-OXO-2-(PHENYLSULFANYL)-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE
| Molecular Formula | C23H21N3O2S3 |
|---|---|
| Molecular Weight | 467.08 g/mol |
| LogP | 5.15542 |
| Topological Polar Surface Area | 54.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.0796 |
| Heavy Atoms | 31 |
| Complexity | 1252.1515 |
Chemical Identifiers
| CAS Number | 862193-01-9 |
|---|---|
| SMILES | CCCCN1C(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)SC4=CC=CC=C4)/SC1=S |
Product Overview
3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 862193-01-9), with molecular formula C23H21N3O2S3 and molecular weight 467.08 g/mol. IUPAC: (5Z)-3-butyl-5-[(9-methyl-4-oxo-2-phenylsulfanylpyrido[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]-9-methyl-2-(phenylsulfanyl)-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]-9-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one
The XLogP value of 5.15542 indicates that 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.68 Ų, 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one has 0 hydrogen bond donor(s) and 6 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]-9-methyl-2-(phenylsulfanyl)-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]-9-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one is 862193-01-9.
What is the molecular formula of 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(phenylsulfanyl)-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]-9-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one is C23H21N3O2S3.
What is the molecular weight of 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(phenylsulfanyl)-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]-9-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one is 467.08 g/mol.
Where can I buy 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(phenylsulfanyl)-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]-9-methyl-2-(phenylsulfanyl)-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]-9-methyl-2-(phenylsulfanyl)-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]-9-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.