![6-(4-benzylpiperazin-1-yl)-5-[(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile structure](/static/products/7063/7063-66-3.webp)
6-(4-benzylpiperazin-1-yl)-5-[(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile
TL;DR: 6-(4-benzylpiperazin-1-yl)-5-[(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile (CAS 7063-66-3) is a chemical compound with molecular formula C28H33N5O2S2 and molecular weight 535.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-benzylpiperazin-1-yl)-5-[(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile
Also Known As: 6-(4-benzylpiperazin-1-yl)-5-[(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile
| Molecular Formula | C28H33N5O2S2 |
|---|---|
| Molecular Weight | 535.21 g/mol |
| LogP | 4.3702 |
| Topological Polar Surface Area | 72.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 535.2076 |
| Heavy Atoms | 37 |
| Complexity | 1320.8085 |
Chemical Identifiers
| CAS Number | 7063-66-3 |
|---|---|
| SMILES | CCC(C)N1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)CC)N3CCN(CC3)CC4=CC=CC=C4)SC1=S |
Product Overview
6-(4-benzylpiperazin-1-yl)-5-[(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile (CAS 7063-66-3), with molecular formula C28H33N5O2S2 and molecular weight 535.21 g/mol. IUPAC: 6-(4-benzylpiperazin-1-yl)-5-[(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile.
Chemical Property Profile of 6-(4-benzylpiperazin-1-yl)-5-[(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile
Property Insights of 6-(4-benzylpiperazin-1-yl)-5-[(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile
The XLogP value of 4.3702 indicates that 6-(4-benzylpiperazin-1-yl)-5-[(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-2-oxopyridine-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 6-(4-benzylpiperazin-1-yl)-5-[(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile. Following Lipinski's Rule of Five, 6-(4-benzylpiperazin-1-yl)-5-[(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-2-oxopyridine-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 6-(4-benzylpiperazin-1-yl)-5-[(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile?
The CAS number of 6-(4-benzylpiperazin-1-yl)-5-[(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile is 7063-66-3.
What is the molecular formula of 6-(4-benzylpiperazin-1-yl)-5-[(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile?
The molecular formula of 6-(4-benzylpiperazin-1-yl)-5-[(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile is C28H33N5O2S2.
What is the molecular weight of 6-(4-benzylpiperazin-1-yl)-5-[(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile?
The molecular weight of 6-(4-benzylpiperazin-1-yl)-5-[(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile is 535.21 g/mol.
Where can I buy 6-(4-benzylpiperazin-1-yl)-5-[(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile?
You can request a quote for 6-(4-benzylpiperazin-1-yl)-5-[(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-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 6-(4-benzylpiperazin-1-yl)-5-[(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-benzylpiperazin-1-yl)-5-[(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.