![6-[4-(4-Fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile structure](/static/products/7063/7063-45-8.webp)
6-[4-(4-Fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile
TL;DR: 6-[4-(4-Fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile (CAS 7063-45-8) is a chemical compound with molecular formula C30H28FN5O2S2 and molecular weight 573.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-(4-fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-[[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile
Also Known As: 6-[4-(4-Fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile, 6-[4-(4-fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-[[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile
| Molecular Formula | C30H28FN5O2S2 |
|---|---|
| Molecular Weight | 573.17 g/mol |
| LogP | 4.9935 |
| Topological Polar Surface Area | 72.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 573.1669 |
| Heavy Atoms | 40 |
| Complexity | 1604.2181 |
Chemical Identifiers
| CAS Number | 7063-45-8 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)C(C)C3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)F)C)C#N |
Product Overview
6-[4-(4-Fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile (CAS 7063-45-8), with molecular formula C30H28FN5O2S2 and molecular weight 573.17 g/mol. IUPAC: 6-[4-(4-fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-[[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile.
Chemical Property Profile of 6-[4-(4-Fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile
Property Insights of 6-[4-(4-Fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile
The XLogP value of 4.9935 indicates that 6-[4-(4-Fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-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 6-[4-(4-Fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile. Following Lipinski's Rule of Five, 6-[4-(4-Fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-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 6-[4-(4-Fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile?
The CAS number of 6-[4-(4-Fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile is 7063-45-8.
What is the molecular formula of 6-[4-(4-Fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile?
The molecular formula of 6-[4-(4-Fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile is C30H28FN5O2S2.
What is the molecular weight of 6-[4-(4-Fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile?
The molecular weight of 6-[4-(4-Fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile is 573.17 g/mol.
Where can I buy 6-[4-(4-Fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile?
You can request a quote for 6-[4-(4-Fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-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 6-[4-(4-Fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-[4-(4-Fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.