![3-[(Z)-(3-benzyl-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/877/877794-70-2.png)
3-[(Z)-(3-benzyl-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-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 877794-70-2) is a chemical compound with molecular formula C26H19N3O2S3 and molecular weight 501.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-benzyl-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-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one, (Z)-3-benzyl-5-((9-methyl-4-oxo-2-(phenylthio)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-3-benzyl-5-[(9-methyl-4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C26H19N3O2S3 |
|---|---|
| Molecular Weight | 501.06 g/mol |
| LogP | 5.55552 |
| Topological Polar Surface Area | 54.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 501.06393 |
| Heavy Atoms | 34 |
| Complexity | 1498.7673 |
Chemical Identifiers
| CAS Number | 877794-70-2 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CC4=CC=CC=C4)SC5=CC=CC=C5 |
Product Overview
3-[(Z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 877794-70-2), with molecular formula C26H19N3O2S3 and molecular weight 501.06 g/mol. IUPAC: (5Z)-3-benzyl-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-benzyl-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-benzyl-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 5.55552 indicates that 3-[(Z)-(3-benzyl-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-benzyl-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-benzyl-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-benzyl-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-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one is 877794-70-2.
What is the molecular formula of 3-[(Z)-(3-benzyl-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-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one is C26H19N3O2S3.
What is the molecular weight of 3-[(Z)-(3-benzyl-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-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one is 501.06 g/mol.
Where can I buy 3-[(Z)-(3-benzyl-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-benzyl-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-benzyl-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-benzyl-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.