![6-(4-benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile structure](/static/products/7063/7063-65-2.webp)
6-(4-benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile
TL;DR: 6-(4-benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile (CAS 7063-65-2) is a chemical compound with molecular formula C29H33N5O3S2 and molecular weight 563.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile
Also Known As: 6-(4-benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile, 6-(4-Benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C29H33N5O3S2 |
|---|---|
| Molecular Weight | 563.20 g/mol |
| LogP | 3.7507 |
| Topological Polar Surface Area | 81.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 563.20245 |
| Heavy Atoms | 39 |
| Complexity | 1384.3586 |
Chemical Identifiers
| CAS Number | 7063-65-2 |
|---|---|
| SMILES | CCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CC3CCCO3)N4CCN(CC4)CC5=CC=CC=C5 |
Product Overview
6-(4-benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile (CAS 7063-65-2), with molecular formula C29H33N5O3S2 and molecular weight 563.20 g/mol. IUPAC: 6-(4-benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile.
Chemical Property Profile of 6-(4-benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile
Property Insights of 6-(4-benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile
The XLogP value of 3.7507 indicates that 6-(4-benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile. Following Lipinski's Rule of Five, 6-(4-benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-(4-benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile?
The CAS number of 6-(4-benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile is 7063-65-2.
What is the molecular formula of 6-(4-benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile?
The molecular formula of 6-(4-benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile is C29H33N5O3S2.
What is the molecular weight of 6-(4-benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile?
The molecular weight of 6-(4-benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile is 563.20 g/mol.
Where can I buy 6-(4-benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile?
You can request a quote for 6-(4-benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.