![2-(4-benzylpiperidin-1-yl)-3-[(Z)-(4-hydroxy-2-thioxo-1,3-thiazol-5(2H)-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one structure](/static/products/5002/500271-78-3.webp)
2-(4-benzylpiperidin-1-yl)-3-[(Z)-(4-hydroxy-2-thioxo-1,3-thiazol-5(2H)-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
TL;DR: 2-(4-benzylpiperidin-1-yl)-3-[(Z)-(4-hydroxy-2-thioxo-1,3-thiazol-5(2H)-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 500271-78-3) is a chemical compound with molecular formula C25H24N4O2S2 and molecular weight 476.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[2-(4-benzylpiperidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 2-(4-benzylpiperidin-1-yl)-3-[(Z)-(4-hydroxy-2-thioxo-1,3-thiazol-5(2H)-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one, (5Z)-5-[[2-(4-benzylpiperidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-5-((2-(4-benzylpiperidin-1-yl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
| Molecular Formula | C25H24N4O2S2 |
|---|---|
| Molecular Weight | 476.13 g/mol |
| LogP | 3.95082 |
| Topological Polar Surface Area | 66.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 476.13406 |
| Heavy Atoms | 33 |
| Complexity | 1325.4814 |
Chemical Identifiers
| CAS Number | 500271-78-3 |
|---|---|
| SMILES | CC1=CN2C(=NC(=C(C2=O)/C=C\3/C(=O)NC(=S)S3)N4CCC(CC4)CC5=CC=CC=C5)C=C1 |
Product Overview
2-(4-benzylpiperidin-1-yl)-3-[(Z)-(4-hydroxy-2-thioxo-1,3-thiazol-5(2H)-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 500271-78-3), with molecular formula C25H24N4O2S2 and molecular weight 476.13 g/mol. IUPAC: (5Z)-5-[[2-(4-benzylpiperidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 2-(4-benzylpiperidin-1-yl)-3-[(Z)-(4-hydroxy-2-thioxo-1,3-thiazol-5(2H)-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Property Insights of 2-(4-benzylpiperidin-1-yl)-3-[(Z)-(4-hydroxy-2-thioxo-1,3-thiazol-5(2H)-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
The XLogP value of 3.95082 indicates that 2-(4-benzylpiperidin-1-yl)-3-[(Z)-(4-hydroxy-2-thioxo-1,3-thiazol-5(2H)-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-benzylpiperidin-1-yl)-3-[(Z)-(4-hydroxy-2-thioxo-1,3-thiazol-5(2H)-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one. Following Lipinski's Rule of Five, 2-(4-benzylpiperidin-1-yl)-3-[(Z)-(4-hydroxy-2-thioxo-1,3-thiazol-5(2H)-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-benzylpiperidin-1-yl)-3-[(Z)-(4-hydroxy-2-thioxo-1,3-thiazol-5(2H)-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
The CAS number of 2-(4-benzylpiperidin-1-yl)-3-[(Z)-(4-hydroxy-2-thioxo-1,3-thiazol-5(2H)-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one is 500271-78-3.
What is the molecular formula of 2-(4-benzylpiperidin-1-yl)-3-[(Z)-(4-hydroxy-2-thioxo-1,3-thiazol-5(2H)-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular formula of 2-(4-benzylpiperidin-1-yl)-3-[(Z)-(4-hydroxy-2-thioxo-1,3-thiazol-5(2H)-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one is C25H24N4O2S2.
What is the molecular weight of 2-(4-benzylpiperidin-1-yl)-3-[(Z)-(4-hydroxy-2-thioxo-1,3-thiazol-5(2H)-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular weight of 2-(4-benzylpiperidin-1-yl)-3-[(Z)-(4-hydroxy-2-thioxo-1,3-thiazol-5(2H)-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one is 476.13 g/mol.
Where can I buy 2-(4-benzylpiperidin-1-yl)-3-[(Z)-(4-hydroxy-2-thioxo-1,3-thiazol-5(2H)-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
You can request a quote for 2-(4-benzylpiperidin-1-yl)-3-[(Z)-(4-hydroxy-2-thioxo-1,3-thiazol-5(2H)-ylidene)methyl]-7-methyl-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 2-(4-benzylpiperidin-1-yl)-3-[(Z)-(4-hydroxy-2-thioxo-1,3-thiazol-5(2H)-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-benzylpiperidin-1-yl)-3-[(Z)-(4-hydroxy-2-thioxo-1,3-thiazol-5(2H)-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.