(Z)-6-(4-(2-hydroxyethyl)piperazin-1-yl)-5-((3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
TL;DR: (Z)-6-(4-(2-hydroxyethyl)piperazin-1-yl)-5-((3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile (CAS 620150-84-7) is a chemical compound with molecular formula C21H27N5O4S2 and molecular weight 477.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-[(Z)-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile
Also Known As: (Z)-6-(4-(2-hydroxyethyl)piperazin-1-yl)-5-((3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile, 6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-[(Z)-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile, 6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C21H27N5O4S2 |
|---|---|
| Molecular Weight | 477.15 g/mol |
| LogP | 0.5273 |
| Topological Polar Surface Area | 102.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.15045 |
| Heavy Atoms | 32 |
| Complexity | 1038.0963 |
Chemical Identifiers
| CAS Number | 620150-84-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=C1/C=C\2/C(=O)N(C(=S)S2)CCOC)N3CCN(CC3)CCO)C)C#N |
Product Overview
(Z)-6-(4-(2-hydroxyethyl)piperazin-1-yl)-5-((3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile (CAS 620150-84-7), with molecular formula C21H27N5O4S2 and molecular weight 477.15 g/mol. IUPAC: 6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-[(Z)-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile.
Chemical Property Profile of (Z)-6-(4-(2-hydroxyethyl)piperazin-1-yl)-5-((3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Property Insights of (Z)-6-(4-(2-hydroxyethyl)piperazin-1-yl)-5-((3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
The XLogP value of 0.5273 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-6-(4-(2-hydroxyethyl)piperazin-1-yl)-5-((3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile. The TPSA of 102.04 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-6-(4-(2-hydroxyethyl)piperazin-1-yl)-5-((3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile. Following Lipinski's Rule of Five, (Z)-6-(4-(2-hydroxyethyl)piperazin-1-yl)-5-((3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 9 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)-6-(4-(2-hydroxyethyl)piperazin-1-yl)-5-((3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The CAS number of (Z)-6-(4-(2-hydroxyethyl)piperazin-1-yl)-5-((3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile is 620150-84-7.
What is the molecular formula of (Z)-6-(4-(2-hydroxyethyl)piperazin-1-yl)-5-((3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The molecular formula of (Z)-6-(4-(2-hydroxyethyl)piperazin-1-yl)-5-((3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile is C21H27N5O4S2.
What is the molecular weight of (Z)-6-(4-(2-hydroxyethyl)piperazin-1-yl)-5-((3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The molecular weight of (Z)-6-(4-(2-hydroxyethyl)piperazin-1-yl)-5-((3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile is 477.15 g/mol.
Where can I buy (Z)-6-(4-(2-hydroxyethyl)piperazin-1-yl)-5-((3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?
You can request a quote for (Z)-6-(4-(2-hydroxyethyl)piperazin-1-yl)-5-((3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-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)-6-(4-(2-hydroxyethyl)piperazin-1-yl)-5-((3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-6-(4-(2-hydroxyethyl)piperazin-1-yl)-5-((3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.