1,4-Di(6-amino-3,5-dicyano-4-ethyl-2-pyridylthio)butane
TL;DR: 1,4-Di(6-amino-3,5-dicyano-4-ethyl-2-pyridylthio)butane (CAS 184530-71-0) is a chemical compound with molecular formula C22H22N8S2 and molecular weight 462.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-[4-[(6-amino-3,5-dicyano-4-ethyl-2-pyridinyl)sulfanyl]butylsulfanyl]-4-ethylpyridine-3,5-dicarbonitrile
Also Known As: 1,4-di(6-amino-3,5-dicyano-4-ethyl-2-pyridylthio)butane, 2,2'-(butane-1,4-diyldisulfanediyl)bis(6-amino-4-ethylpyridine-3,5-dicarbonitrile), 6,6'-(butane-1,4-diylbis(sulfanediyl))bis(2-amino-4-ethylpyridine-3,5-dicarbonitrile), 2-amino-6-[4-(6-amino-3,5-dicyano-4-ethylpyridin-2-yl)sulfanylbutylsulfanyl]-4-ethylpyridine-3,5-dicarbonitrile
| Molecular Formula | C22H22N8S2 |
|---|---|
| Molecular Weight | 462.14 g/mol |
| LogP | 3.91712 |
| Topological Polar Surface Area | 172.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 462.1409 |
| Heavy Atoms | 32 |
| Complexity | 1085.8535 |
Chemical Identifiers
| CAS Number | 184530-71-0 |
|---|---|
| SMILES | CCC1=C(C(=NC(=C1C#N)SCCCCSC2=C(C(=C(C(=N2)N)C#N)CC)C#N)N)C#N |
Product Overview
1,4-Di(6-amino-3,5-dicyano-4-ethyl-2-pyridylthio)butane (CAS 184530-71-0), with molecular formula C22H22N8S2 and molecular weight 462.14 g/mol. IUPAC: 2-amino-6-[4-[(6-amino-3,5-dicyano-4-ethyl-2-pyridinyl)sulfanyl]butylsulfanyl]-4-ethylpyridine-3,5-dicarbonitrile.
Chemical Property Profile of 1,4-Di(6-amino-3,5-dicyano-4-ethyl-2-pyridylthio)butane
Property Insights of 1,4-Di(6-amino-3,5-dicyano-4-ethyl-2-pyridylthio)butane
The XLogP value of 3.91712 indicates that 1,4-Di(6-amino-3,5-dicyano-4-ethyl-2-pyridylthio)butane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.98 Ų indicates high polarity, suggesting 1,4-Di(6-amino-3,5-dicyano-4-ethyl-2-pyridylthio)butane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4-Di(6-amino-3,5-dicyano-4-ethyl-2-pyridylthio)butane has 2 hydrogen bond donor(s) and 10 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 1,4-Di(6-amino-3,5-dicyano-4-ethyl-2-pyridylthio)butane?
The CAS number of 1,4-Di(6-amino-3,5-dicyano-4-ethyl-2-pyridylthio)butane is 184530-71-0.
What is the molecular formula of 1,4-Di(6-amino-3,5-dicyano-4-ethyl-2-pyridylthio)butane?
The molecular formula of 1,4-Di(6-amino-3,5-dicyano-4-ethyl-2-pyridylthio)butane is C22H22N8S2.
What is the molecular weight of 1,4-Di(6-amino-3,5-dicyano-4-ethyl-2-pyridylthio)butane?
The molecular weight of 1,4-Di(6-amino-3,5-dicyano-4-ethyl-2-pyridylthio)butane is 462.14 g/mol.
Where can I buy 1,4-Di(6-amino-3,5-dicyano-4-ethyl-2-pyridylthio)butane?
You can request a quote for 1,4-Di(6-amino-3,5-dicyano-4-ethyl-2-pyridylthio)butane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Di(6-amino-3,5-dicyano-4-ethyl-2-pyridylthio)butane?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Di(6-amino-3,5-dicyano-4-ethyl-2-pyridylthio)butane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.