![6-(azepan-1-yl)-1,4-dimethyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile structure](/static/products/7063/7063-48-1.webp)
6-(azepan-1-yl)-1,4-dimethyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile
TL;DR: 6-(azepan-1-yl)-1,4-dimethyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile (CAS 7063-48-1) is a chemical compound with molecular formula C23H30N4O2S2 and molecular weight 458.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(azepan-1-yl)-1,4-dimethyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile
Also Known As: 6-(azepan-1-yl)-1,4-dimethyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile, 6-(Azepan-1-yl)-1,4-dimethyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C23H30N4O2S2 |
|---|---|
| Molecular Weight | 458.18 g/mol |
| LogP | 4.3372 |
| Topological Polar Surface Area | 69.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.18103 |
| Heavy Atoms | 31 |
| Complexity | 998.29956 |
Chemical Identifiers
| CAS Number | 7063-48-1 |
|---|---|
| SMILES | CCCCCN1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)C)N3CCCCCC3)SC1=S |
Product Overview
6-(azepan-1-yl)-1,4-dimethyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile (CAS 7063-48-1), with molecular formula C23H30N4O2S2 and molecular weight 458.18 g/mol. IUPAC: 6-(azepan-1-yl)-1,4-dimethyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile.
Chemical Property Profile of 6-(azepan-1-yl)-1,4-dimethyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile
Property Insights of 6-(azepan-1-yl)-1,4-dimethyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile
The XLogP value of 4.3372 indicates that 6-(azepan-1-yl)-1,4-dimethyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-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 6-(azepan-1-yl)-1,4-dimethyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile. Following Lipinski's Rule of Five, 6-(azepan-1-yl)-1,4-dimethyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 6 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 6-(azepan-1-yl)-1,4-dimethyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile?
The CAS number of 6-(azepan-1-yl)-1,4-dimethyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile is 7063-48-1.
What is the molecular formula of 6-(azepan-1-yl)-1,4-dimethyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile?
The molecular formula of 6-(azepan-1-yl)-1,4-dimethyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile is C23H30N4O2S2.
What is the molecular weight of 6-(azepan-1-yl)-1,4-dimethyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile?
The molecular weight of 6-(azepan-1-yl)-1,4-dimethyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile is 458.18 g/mol.
Where can I buy 6-(azepan-1-yl)-1,4-dimethyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile?
You can request a quote for 6-(azepan-1-yl)-1,4-dimethyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-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-(azepan-1-yl)-1,4-dimethyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(azepan-1-yl)-1,4-dimethyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.