(Z)-1,4-dimethyl-5-((3-(4-methylbenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-methylpiperazin-1-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
TL;DR: (Z)-1,4-dimethyl-5-((3-(4-methylbenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-methylpiperazin-1-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile (CAS 620149-53-3) is a chemical compound with molecular formula C25H27N5O2S2 and molecular weight 493.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dimethyl-5-[(Z)-[3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-methylpiperazin-1-yl)-2-oxopyridine-3-carbonitrile
Also Known As: (Z)-1,4-dimethyl-5-((3-(4-methylbenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-methylpiperazin-1-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile, 1,4-dimethyl-5-[(Z)-[3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-methylpiperazin-1-yl)-2-oxopyridine-3-carbonitrile, 1,4-dimethyl-5-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-6-(4-methylpiperazin-1-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C25H27N5O2S2 |
|---|---|
| Molecular Weight | 493.16 g/mol |
| LogP | 3.02702 |
| Topological Polar Surface Area | 72.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 493.1606 |
| Heavy Atoms | 34 |
| Complexity | 1282.355 |
Chemical Identifiers
| CAS Number | 620149-53-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(N(C(=O)C(=C3C)C#N)C)N4CCN(CC4)C)/SC2=S |
Product Overview
(Z)-1,4-dimethyl-5-((3-(4-methylbenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-methylpiperazin-1-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile (CAS 620149-53-3), with molecular formula C25H27N5O2S2 and molecular weight 493.16 g/mol. IUPAC: 1,4-dimethyl-5-[(Z)-[3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-methylpiperazin-1-yl)-2-oxopyridine-3-carbonitrile.
Chemical Property Profile of (Z)-1,4-dimethyl-5-((3-(4-methylbenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-methylpiperazin-1-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
Property Insights of (Z)-1,4-dimethyl-5-((3-(4-methylbenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-methylpiperazin-1-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
The XLogP value of 3.02702 indicates that (Z)-1,4-dimethyl-5-((3-(4-methylbenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-methylpiperazin-1-yl)-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)-1,4-dimethyl-5-((3-(4-methylbenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-methylpiperazin-1-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile. Following Lipinski's Rule of Five, (Z)-1,4-dimethyl-5-((3-(4-methylbenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-methylpiperazin-1-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile has 0 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 (Z)-1,4-dimethyl-5-((3-(4-methylbenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-methylpiperazin-1-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The CAS number of (Z)-1,4-dimethyl-5-((3-(4-methylbenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-methylpiperazin-1-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile is 620149-53-3.
What is the molecular formula of (Z)-1,4-dimethyl-5-((3-(4-methylbenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-methylpiperazin-1-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The molecular formula of (Z)-1,4-dimethyl-5-((3-(4-methylbenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-methylpiperazin-1-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile is C25H27N5O2S2.
What is the molecular weight of (Z)-1,4-dimethyl-5-((3-(4-methylbenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-methylpiperazin-1-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The molecular weight of (Z)-1,4-dimethyl-5-((3-(4-methylbenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-methylpiperazin-1-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile is 493.16 g/mol.
Where can I buy (Z)-1,4-dimethyl-5-((3-(4-methylbenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-methylpiperazin-1-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile?
You can request a quote for (Z)-1,4-dimethyl-5-((3-(4-methylbenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-methylpiperazin-1-yl)-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)-1,4-dimethyl-5-((3-(4-methylbenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-methylpiperazin-1-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-1,4-dimethyl-5-((3-(4-methylbenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-6-(4-methylpiperazin-1-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.