![1-Butyl-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile structure](/static/products/7064/7064-72-4.webp)
1-Butyl-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile
TL;DR: 1-Butyl-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile (CAS 7064-72-4) is a chemical compound with molecular formula C26H36N4O2S2 and molecular weight 500.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-6-pyrrolidin-1-ylpyridine-3-carbonitrile
Also Known As: 1-Butyl-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile, 1-butyl-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-6-pyrrolidin-1-ylpyridine-3-carbonitrile
| Molecular Formula | C26H36N4O2S2 |
|---|---|
| Molecular Weight | 500.23 g/mol |
| LogP | 5.6003 |
| Topological Polar Surface Area | 69.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 500.22797 |
| Heavy Atoms | 34 |
| Complexity | 1048.3511 |
Chemical Identifiers
| CAS Number | 7064-72-4 |
|---|---|
| SMILES | CCCCCCCN1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)CCCC)N3CCCC3)SC1=S |
Product Overview
1-Butyl-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile (CAS 7064-72-4), with molecular formula C26H36N4O2S2 and molecular weight 500.23 g/mol. IUPAC: 1-butyl-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-6-pyrrolidin-1-ylpyridine-3-carbonitrile.
Chemical Property Profile of 1-Butyl-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile
Property Insights of 1-Butyl-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile
The XLogP value of 5.6003 indicates that 1-Butyl-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butyl-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile. Following Lipinski's Rule of Five, 1-Butyl-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 6 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-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile?
The CAS number of 1-Butyl-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile is 7064-72-4.
What is the molecular formula of 1-Butyl-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile?
The molecular formula of 1-Butyl-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile is C26H36N4O2S2.
What is the molecular weight of 1-Butyl-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile?
The molecular weight of 1-Butyl-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile is 500.23 g/mol.
Where can I buy 1-Butyl-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile?
You can request a quote for 1-Butyl-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-6-(pyrrolidin-1-yl)-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-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.