1-{3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide
TL;DR: 1-{3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide (CAS 607703-41-3) is a chemical compound with molecular formula C24H29N5O3S2 and molecular weight 499.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(Z)-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide
Also Known As: 1-{3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide, (Z)-1-(3-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide, 1-[3-[(Z)-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide, 1-{3-[(3-hexyl-4-oxo-2-thioxo(1,3-thiazolidin-5-ylidene))methyl]-4-oxo-5-hydro pyridino[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide
| Molecular Formula | C24H29N5O3S2 |
|---|---|
| Molecular Weight | 499.17 g/mol |
| LogP | 3.1777 |
| Topological Polar Surface Area | 101.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 499.17117 |
| Heavy Atoms | 34 |
| Complexity | 1200.8019 |
Chemical Identifiers
| CAS Number | 607703-41-3 |
|---|---|
| SMILES | CCCCCCN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)N4CCC(CC4)C(=O)N)/SC1=S |
Product Overview
1-{3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide (CAS 607703-41-3), with molecular formula C24H29N5O3S2 and molecular weight 499.17 g/mol. IUPAC: 1-[3-[(Z)-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide.
Chemical Property Profile of 1-{3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide
Property Insights of 1-{3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide
The XLogP value of 3.1777 indicates that 1-{3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide. Following Lipinski's Rule of Five, 1-{3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide has 1 hydrogen bond donor(s) and 7 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 1-{3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide?
The CAS number of 1-{3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide is 607703-41-3.
What is the molecular formula of 1-{3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide?
The molecular formula of 1-{3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide is C24H29N5O3S2.
What is the molecular weight of 1-{3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide?
The molecular weight of 1-{3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide is 499.17 g/mol.
Where can I buy 1-{3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide?
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Does KEHONG BIO offer custom synthesis for 1-{3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-{3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.