(Z)-5-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
TL;DR: (Z)-5-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile (CAS 620152-47-8) is a chemical compound with molecular formula C26H27N5O2S2 and molecular weight 505.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-5-[(Z)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile
Also Known As: (Z)-5-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile, 6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-5-[(Z)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile, 6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-5-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C26H27N5O2S2 |
|---|---|
| Molecular Weight | 505.16 g/mol |
| LogP | 3.2748 |
| Topological Polar Surface Area | 72.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 505.1606 |
| Heavy Atoms | 35 |
| Complexity | 1301.7478 |
Chemical Identifiers
| CAS Number | 620152-47-8 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=C1/C=C\2/C(=O)N(C(=S)S2)CC=C)N3CCN(CC3)CC4=CC=CC=C4)C)C#N |
Product Overview
(Z)-5-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile (CAS 620152-47-8), with molecular formula C26H27N5O2S2 and molecular weight 505.16 g/mol. IUPAC: 6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-5-[(Z)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile.
Chemical Property Profile of (Z)-5-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Property Insights of (Z)-5-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
The XLogP value of 3.2748 indicates that (Z)-5-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.58 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-5-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile. Following Lipinski's Rule of Five, (Z)-5-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-5-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The CAS number of (Z)-5-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile is 620152-47-8.
What is the molecular formula of (Z)-5-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The molecular formula of (Z)-5-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile is C26H27N5O2S2.
What is the molecular weight of (Z)-5-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The molecular weight of (Z)-5-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile is 505.16 g/mol.
Where can I buy (Z)-5-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?
You can request a quote for (Z)-5-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-benzylpiperazin-1-yl)-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)-5-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-5-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.