6-amino-4-heptyl-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile
TL;DR: 6-amino-4-heptyl-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile (CAS 180537-92-2) is a chemical compound with molecular formula C14H18N4S and molecular weight 274.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-heptyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
Also Known As: 6-amino-4-heptyl-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile, 6-amino-3,5-dicyano-4-heptylpyridine-2(1h)-thione, 2-amino-4-heptyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile, 3,5-Pyridinedicarbonitrile, 6-amino-4-heptyl-1,2-dihydro-2-thioxo-, 6-amino-4-heptyl-2-sulfanylidene-1,2-dihydropyridine-3,5-dicarbonitrile
| Molecular Formula | C14H18N4S |
|---|---|
| Molecular Weight | 274.13 g/mol |
| LogP | 3.58265 |
| Topological Polar Surface Area | 89.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.1252 |
| Heavy Atoms | 19 |
| Complexity | 574.8246 |
Chemical Identifiers
| CAS Number | 180537-92-2 |
|---|---|
| SMILES | CCCCCCCC1=C(C(=S)NC(=C1C#N)N)C#N |
Product Overview
6-amino-4-heptyl-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile (CAS 180537-92-2), with molecular formula C14H18N4S and molecular weight 274.13 g/mol. IUPAC: 2-amino-4-heptyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile.
Chemical Property Profile of 6-amino-4-heptyl-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile
Property Insights of 6-amino-4-heptyl-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile
The XLogP value of 3.58265 indicates that 6-amino-4-heptyl-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-4-heptyl-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile. Following Lipinski's Rule of Five, 6-amino-4-heptyl-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile has 2 hydrogen bond donor(s) and 4 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-amino-4-heptyl-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile?
The CAS number of 6-amino-4-heptyl-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile is 180537-92-2.
What is the molecular formula of 6-amino-4-heptyl-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile?
The molecular formula of 6-amino-4-heptyl-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile is C14H18N4S.
What is the molecular weight of 6-amino-4-heptyl-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile?
The molecular weight of 6-amino-4-heptyl-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile is 274.13 g/mol.
Where can I buy 6-amino-4-heptyl-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile?
You can request a quote for 6-amino-4-heptyl-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-amino-4-heptyl-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-4-heptyl-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.