(Z)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile
TL;DR: (Z)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile (CAS 620153-83-5) is a chemical compound with molecular formula C22H28N4O2S2 and molecular weight 444.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(Z)-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxo-6-pyrrolidin-1-ylpyridine-3-carbonitrile
Also Known As: (Z)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile, 5-[(Z)-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxo-6-pyrrolidin-1-ylpyridine-3-carbonitrile, 5-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C22H28N4O2S2 |
|---|---|
| Molecular Weight | 444.17 g/mol |
| LogP | 3.9471 |
| Topological Polar Surface Area | 69.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.16537 |
| Heavy Atoms | 30 |
| Complexity | 984.3224 |
Chemical Identifiers
| CAS Number | 620153-83-5 |
|---|---|
| SMILES | CCCCCCN1C(=O)/C(=C/C2=C(N(C(=O)C(=C2C)C#N)C)N3CCCC3)/SC1=S |
Product Overview
(Z)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile (CAS 620153-83-5), with molecular formula C22H28N4O2S2 and molecular weight 444.17 g/mol. IUPAC: 5-[(Z)-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxo-6-pyrrolidin-1-ylpyridine-3-carbonitrile.
Chemical Property Profile of (Z)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile
Property Insights of (Z)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile
The XLogP value of 3.9471 indicates that (Z)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.34 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile. Following Lipinski's Rule of Five, (Z)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile has 0 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 (Z)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile?
The CAS number of (Z)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile is 620153-83-5.
What is the molecular formula of (Z)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile?
The molecular formula of (Z)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile is C22H28N4O2S2.
What is the molecular weight of (Z)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile?
The molecular weight of (Z)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile is 444.17 g/mol.
Where can I buy (Z)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile?
You can request a quote for (Z)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.