![1-Butyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-oxo-1,2-dihydropyridine-3-carbonitrile structure](/static/products/7065/7065-12-5.webp)
1-Butyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-oxo-1,2-dihydropyridine-3-carbonitrile
TL;DR: 1-Butyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-oxo-1,2-dihydropyridine-3-carbonitrile (CAS 7065-12-5) is a chemical compound with molecular formula C29H34FN5O2S2 and molecular weight 567.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-[[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-oxopyridine-3-carbonitrile
Also Known As: 1-Butyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-oxo-1,2-dihydropyridine-3-carbonitrile, 1-butyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-[[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-oxopyridine-3-carbonitrile
| Molecular Formula | C29H34FN5O2S2 |
|---|---|
| Molecular Weight | 567.21 g/mol |
| LogP | 5.1514 |
| Topological Polar Surface Area | 72.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 567.2138 |
| Heavy Atoms | 39 |
| Complexity | 1403.6086 |
Chemical Identifiers
| CAS Number | 7065-12-5 |
|---|---|
| SMILES | CCCCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CC(C)C)N3CCN(CC3)C4=CC=CC=C4F |
Product Overview
1-Butyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-oxo-1,2-dihydropyridine-3-carbonitrile (CAS 7065-12-5), with molecular formula C29H34FN5O2S2 and molecular weight 567.21 g/mol. IUPAC: 1-butyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-[[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-oxopyridine-3-carbonitrile.
Chemical Property Profile of 1-Butyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-oxo-1,2-dihydropyridine-3-carbonitrile
Property Insights of 1-Butyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-oxo-1,2-dihydropyridine-3-carbonitrile
The XLogP value of 5.1514 indicates that 1-Butyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-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 1-Butyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-oxo-1,2-dihydropyridine-3-carbonitrile. Following Lipinski's Rule of Five, 1-Butyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-oxo-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 1-Butyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The CAS number of 1-Butyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-oxo-1,2-dihydropyridine-3-carbonitrile is 7065-12-5.
What is the molecular formula of 1-Butyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The molecular formula of 1-Butyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-oxo-1,2-dihydropyridine-3-carbonitrile is C29H34FN5O2S2.
What is the molecular weight of 1-Butyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The molecular weight of 1-Butyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-oxo-1,2-dihydropyridine-3-carbonitrile is 567.21 g/mol.
Where can I buy 1-Butyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-oxo-1,2-dihydropyridine-3-carbonitrile?
You can request a quote for 1-Butyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-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 1-Butyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-oxo-1,2-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-oxo-1,2-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.