Hexadiynedinitrile
TL;DR: Hexadiynedinitrile (CAS 16419-78-6) is a chemical compound with molecular formula C6N2 and molecular weight 100.00615 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexa-2,4-diynedinitrile
Also Known As: Hexadiynedinitrile, dicyanodiacetylene, Dicyanobutadiyne, hexa-2,4-diynedinitrile, 2,4-Hexadiynedinitrile
Technical Specifications
| Molecular Formula | C6N2 |
| Molecular Weight | 100.00615 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 100.00615 Da |
| Heavy Atoms | 8 |
| Complexity | 258.0 |
| SMILES | C(#CC#N)C#CC#N |
| InChIKey | HEUVKASCJJGDBZ-UHFFFAOYSA-N |
Chemical Property Profile of Hexadiynedinitrile
Property Insights of Hexadiynedinitrile
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexadiynedinitrile. With a topological polar surface area (TPSA) of 47.6 Ų, Hexadiynedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadiynedinitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Hexadiynedinitrile?
The CAS number of Hexadiynedinitrile is 16419-78-6.
What is the molecular formula of Hexadiynedinitrile?
The molecular formula of Hexadiynedinitrile is C6N2.
What is the molecular weight of Hexadiynedinitrile?
The molecular weight of Hexadiynedinitrile is 100.00615 g/mol.
Where can I buy Hexadiynedinitrile?
You can request a quote for Hexadiynedinitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexadiynedinitrile?
Yes, CoreyChem provides custom synthesis services for Hexadiynedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.