![5-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile structure](/static/products/7063/7063-22-1.webp)
5-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile
TL;DR: 5-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile (CAS 7063-22-1) is a chemical compound with molecular formula C26H27N5O4S2 and molecular weight 537.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile
Also Known As: 5-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile, 5-({3-[(2H-1,3-Benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile, RefChem:314098
| Molecular Formula | C26H27N5O4S2 |
|---|---|
| Molecular Weight | 537.15 g/mol |
| LogP | 2.8374 |
| Topological Polar Surface Area | 91.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 537.15045 |
| Heavy Atoms | 37 |
| Complexity | 1419.5112 |
Chemical Identifiers
| CAS Number | 7063-22-1 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=C(C(=C(C(=O)N2C)C#N)C)C=C3C(=O)N(C(=S)S3)CC4=CC5=C(C=C4)OCO5 |
Product Overview
5-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile (CAS 7063-22-1), with molecular formula C26H27N5O4S2 and molecular weight 537.15 g/mol. IUPAC: 5-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile.
Chemical Property Profile of 5-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile
Property Insights of 5-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile
The XLogP value of 2.8374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile. The TPSA of 91.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile. Following Lipinski's Rule of Five, 5-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The CAS number of 5-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile is 7063-22-1.
What is the molecular formula of 5-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The molecular formula of 5-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile is C26H27N5O4S2.
What is the molecular weight of 5-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The molecular weight of 5-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile is 537.15 g/mol.
Where can I buy 5-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
You can request a quote for 5-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.