6-Amino-4-ethyl-2-prop-2-enylthiopyridine-3,5-dicarbonitrile
TL;DR: 6-Amino-4-ethyl-2-prop-2-enylthiopyridine-3,5-dicarbonitrile (CAS 184530-77-6) is a chemical compound with molecular formula C12H12N4S and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-ethyl-6-prop-2-enylsulfanylpyridine-3,5-dicarbonitrile
Also Known As: BAS 01279656, AB00076095-01, 2-(allylthio)-6-amino-4-ethyl-3,5-pyridinedicarbonitrile, 2-(allylthio)-6-amino-4-ethylpyridine-3,5-dicarbonitrile, 2-Allylsulfanyl-6-amino-4-ethyl-pyridine-3,5-dicarbonitrile
| Molecular Formula | C12H12N4S |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 2.24766 |
| Topological Polar Surface Area | 86.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.07826 |
| Heavy Atoms | 17 |
| Complexity | 522.7779 |
Chemical Identifiers
| CAS Number | 184530-77-6 |
|---|---|
| SMILES | CCC1=C(C(=NC(=C1C#N)SCC=C)N)C#N |
Product Overview
6-Amino-4-ethyl-2-prop-2-enylthiopyridine-3,5-dicarbonitrile (CAS 184530-77-6), with molecular formula C12H12N4S and molecular weight 244.08 g/mol. IUPAC: 2-amino-4-ethyl-6-prop-2-enylsulfanylpyridine-3,5-dicarbonitrile.
Chemical Property Profile of 6-Amino-4-ethyl-2-prop-2-enylthiopyridine-3,5-dicarbonitrile
Property Insights of 6-Amino-4-ethyl-2-prop-2-enylthiopyridine-3,5-dicarbonitrile
The XLogP value of 2.24766 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-4-ethyl-2-prop-2-enylthiopyridine-3,5-dicarbonitrile. The TPSA of 86.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-4-ethyl-2-prop-2-enylthiopyridine-3,5-dicarbonitrile. Following Lipinski's Rule of Five, 6-Amino-4-ethyl-2-prop-2-enylthiopyridine-3,5-dicarbonitrile has 1 hydrogen bond donor(s) and 5 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-ethyl-2-prop-2-enylthiopyridine-3,5-dicarbonitrile?
The CAS number of 6-Amino-4-ethyl-2-prop-2-enylthiopyridine-3,5-dicarbonitrile is 184530-77-6.
What is the molecular formula of 6-Amino-4-ethyl-2-prop-2-enylthiopyridine-3,5-dicarbonitrile?
The molecular formula of 6-Amino-4-ethyl-2-prop-2-enylthiopyridine-3,5-dicarbonitrile is C12H12N4S.
What is the molecular weight of 6-Amino-4-ethyl-2-prop-2-enylthiopyridine-3,5-dicarbonitrile?
The molecular weight of 6-Amino-4-ethyl-2-prop-2-enylthiopyridine-3,5-dicarbonitrile is 244.08 g/mol.
Where can I buy 6-Amino-4-ethyl-2-prop-2-enylthiopyridine-3,5-dicarbonitrile?
You can request a quote for 6-Amino-4-ethyl-2-prop-2-enylthiopyridine-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-ethyl-2-prop-2-enylthiopyridine-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-4-ethyl-2-prop-2-enylthiopyridine-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.