![(Z)-3-isobutyl-5-((7-methyl-4-oxo-2-(phenylthio)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one structure](/static/products/796/796878-39-2.png)
(Z)-3-isobutyl-5-((7-methyl-4-oxo-2-(phenylthio)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
TL;DR: (Z)-3-isobutyl-5-((7-methyl-4-oxo-2-(phenylthio)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one (CAS 796878-39-2) 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)-5-[(7-methyl-4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (Z)-3-isobutyl-5-((7-methyl-4-oxo-2-(phenylthio)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, 3-isobutyl-5-{(Z)-1-[7-methyl-4-oxo-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolan-4-one, (5Z)-5-[(7-methyl-4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-{[7-METHYL-4-OXO-2-(PHENYLSULFANYL)-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLIDENE}-3-(2-METHYLPROPYL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, 3-[3-Isobutyl-4-oxo-2-thioxo-thiazolidin-(5Z)-ylidenemethyl]-7-methyl-2-phenylsulfanyl-pyrido[1,2-a]pyrimidin-4-one
| Molecular Formula | C23H21N3O2S3 |
|---|---|
| Molecular Weight | 467.08 g/mol |
| LogP | 5.01132 |
| Topological Polar Surface Area | 54.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.0796 |
| Heavy Atoms | 31 |
| Complexity | 1266.292 |
Chemical Identifiers
| CAS Number | 796878-39-2 |
|---|---|
| SMILES | CC1=CN2C(=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CC(C)C)SC4=CC=CC=C4)C=C1 |
Product Overview
(Z)-3-isobutyl-5-((7-methyl-4-oxo-2-(phenylthio)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one (CAS 796878-39-2), with molecular formula C23H21N3O2S3 and molecular weight 467.08 g/mol. IUPAC: (5Z)-5-[(7-methyl-4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (Z)-3-isobutyl-5-((7-methyl-4-oxo-2-(phenylthio)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
Property Insights of (Z)-3-isobutyl-5-((7-methyl-4-oxo-2-(phenylthio)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
The XLogP value of 5.01132 indicates that (Z)-3-isobutyl-5-((7-methyl-4-oxo-2-(phenylthio)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-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, (Z)-3-isobutyl-5-((7-methyl-4-oxo-2-(phenylthio)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-3-isobutyl-5-((7-methyl-4-oxo-2-(phenylthio)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-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 (Z)-3-isobutyl-5-((7-methyl-4-oxo-2-(phenylthio)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one?
The CAS number of (Z)-3-isobutyl-5-((7-methyl-4-oxo-2-(phenylthio)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one is 796878-39-2.
What is the molecular formula of (Z)-3-isobutyl-5-((7-methyl-4-oxo-2-(phenylthio)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one?
The molecular formula of (Z)-3-isobutyl-5-((7-methyl-4-oxo-2-(phenylthio)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one is C23H21N3O2S3.
What is the molecular weight of (Z)-3-isobutyl-5-((7-methyl-4-oxo-2-(phenylthio)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one?
The molecular weight of (Z)-3-isobutyl-5-((7-methyl-4-oxo-2-(phenylthio)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one is 467.08 g/mol.
Where can I buy (Z)-3-isobutyl-5-((7-methyl-4-oxo-2-(phenylthio)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one?
You can request a quote for (Z)-3-isobutyl-5-((7-methyl-4-oxo-2-(phenylthio)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-isobutyl-5-((7-methyl-4-oxo-2-(phenylthio)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-isobutyl-5-((7-methyl-4-oxo-2-(phenylthio)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.