(Z)-6-(4-benzylpiperazin-1-yl)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
TL;DR: (Z)-6-(4-benzylpiperazin-1-yl)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile (CAS 620152-62-7) is a chemical compound with molecular formula C29H35N5O2S2 and molecular weight 549.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-benzylpiperazin-1-yl)-5-[(Z)-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile
Also Known As: (Z)-6-(4-benzylpiperazin-1-yl)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile, 6-(4-benzylpiperazin-1-yl)-5-[(Z)-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile, 6-(4-benzylpiperazin-1-yl)-5-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C29H35N5O2S2 |
|---|---|
| Molecular Weight | 549.22 g/mol |
| LogP | 4.6691 |
| Topological Polar Surface Area | 72.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 549.2232 |
| Heavy Atoms | 38 |
| Complexity | 1321.2043 |
Chemical Identifiers
| CAS Number | 620152-62-7 |
|---|---|
| SMILES | CCCCCCN1C(=O)/C(=C/C2=C(N(C(=O)C(=C2C)C#N)C)N3CCN(CC3)CC4=CC=CC=C4)/SC1=S |
Product Overview
(Z)-6-(4-benzylpiperazin-1-yl)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile (CAS 620152-62-7), with molecular formula C29H35N5O2S2 and molecular weight 549.22 g/mol. IUPAC: 6-(4-benzylpiperazin-1-yl)-5-[(Z)-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile.
Chemical Property Profile of (Z)-6-(4-benzylpiperazin-1-yl)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Property Insights of (Z)-6-(4-benzylpiperazin-1-yl)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
The XLogP value of 4.6691 indicates that (Z)-6-(4-benzylpiperazin-1-yl)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-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)-6-(4-benzylpiperazin-1-yl)-5-((3-hexyl-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-benzylpiperazin-1-yl)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-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)-6-(4-benzylpiperazin-1-yl)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The CAS number of (Z)-6-(4-benzylpiperazin-1-yl)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile is 620152-62-7.
What is the molecular formula of (Z)-6-(4-benzylpiperazin-1-yl)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The molecular formula of (Z)-6-(4-benzylpiperazin-1-yl)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile is C29H35N5O2S2.
What is the molecular weight of (Z)-6-(4-benzylpiperazin-1-yl)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The molecular weight of (Z)-6-(4-benzylpiperazin-1-yl)-5-((3-hexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile is 549.22 g/mol.
Where can I buy (Z)-6-(4-benzylpiperazin-1-yl)-5-((3-hexyl-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-benzylpiperazin-1-yl)-5-((3-hexyl-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-benzylpiperazin-1-yl)-5-((3-hexyl-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-benzylpiperazin-1-yl)-5-((3-hexyl-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.