![1-Butyl-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxo-5-[(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,2-dihydropyridine-3-carbonitrile structure](/static/products/7064/7064-81-5.webp)
1-Butyl-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxo-5-[(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,2-dihydropyridine-3-carbonitrile
TL;DR: 1-Butyl-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxo-5-[(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,2-dihydropyridine-3-carbonitrile (CAS 7064-81-5) is a chemical compound with molecular formula C23H31N5O2S2 and molecular weight 473.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxo-5-[(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile
Also Known As: 1-Butyl-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxo-5-[(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,2-dihydropyridine-3-carbonitrile, 1-butyl-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxo-5-[(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile
| Molecular Formula | C23H31N5O2S2 |
|---|---|
| Molecular Weight | 473.19 g/mol |
| LogP | 3.1915 |
| Topological Polar Surface Area | 72.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.19193 |
| Heavy Atoms | 32 |
| Complexity | 1032.2931 |
Chemical Identifiers
| CAS Number | 7064-81-5 |
|---|---|
| SMILES | CCCCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CCC)N3CCN(CC3)C |
Product Overview
1-Butyl-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxo-5-[(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,2-dihydropyridine-3-carbonitrile (CAS 7064-81-5), with molecular formula C23H31N5O2S2 and molecular weight 473.19 g/mol. IUPAC: 1-butyl-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxo-5-[(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile.
Chemical Property Profile of 1-Butyl-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxo-5-[(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,2-dihydropyridine-3-carbonitrile
Property Insights of 1-Butyl-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxo-5-[(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,2-dihydropyridine-3-carbonitrile
The XLogP value of 3.1915 indicates that 1-Butyl-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxo-5-[(4-oxo-3-propyl-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 1-Butyl-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxo-5-[(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,2-dihydropyridine-3-carbonitrile. Following Lipinski's Rule of Five, 1-Butyl-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxo-5-[(4-oxo-3-propyl-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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Butyl-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxo-5-[(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,2-dihydropyridine-3-carbonitrile?
The CAS number of 1-Butyl-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxo-5-[(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,2-dihydropyridine-3-carbonitrile is 7064-81-5.
What is the molecular formula of 1-Butyl-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxo-5-[(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,2-dihydropyridine-3-carbonitrile?
The molecular formula of 1-Butyl-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxo-5-[(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,2-dihydropyridine-3-carbonitrile is C23H31N5O2S2.
What is the molecular weight of 1-Butyl-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxo-5-[(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,2-dihydropyridine-3-carbonitrile?
The molecular weight of 1-Butyl-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxo-5-[(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,2-dihydropyridine-3-carbonitrile is 473.19 g/mol.
Where can I buy 1-Butyl-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxo-5-[(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,2-dihydropyridine-3-carbonitrile?
You can request a quote for 1-Butyl-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxo-5-[(4-oxo-3-propyl-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 1-Butyl-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxo-5-[(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,2-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxo-5-[(4-oxo-3-propyl-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.