3,6-Bis(decyl)phthalonitrile
TL;DR: 3,6-Bis(decyl)phthalonitrile (CAS 119931-48-5) is a chemical compound with molecular formula C28H44N2 and molecular weight 408.35046 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,6-didecylbenzene-1,2-dicarbonitrile
Also Known As: 3,6-BIS(DECYL)PHTHALONITRILE, 3,6-didecylphthalonitrile, 3,6-didecylbenzene-1,2-dicarbonitrile, 1,2-Benzenedicarbonitrile,3,6-didecyl-, J1.436.363G
Technical Specifications
| Molecular Formula | C28H44N2 |
| Molecular Weight | 408.35046 g/mol |
| XLogP | 11.6 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 18 |
| Exact Mass | 408.35046 Da |
| Heavy Atoms | 30 |
| Complexity | 447.0 |
| SMILES | CCCCCCCCCCC1=C(C(=C(C=C1)CCCCCCCCCC)C#N)C#N |
| InChIKey | DSZGQEHPKNNPFU-UHFFFAOYSA-N |
Chemical Property Profile of 3,6-Bis(decyl)phthalonitrile
Property Insights of 3,6-Bis(decyl)phthalonitrile
The XLogP value of 11.6 indicates that 3,6-Bis(decyl)phthalonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 3,6-Bis(decyl)phthalonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Bis(decyl)phthalonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3,6-Bis(decyl)phthalonitrile?
The CAS number of 3,6-Bis(decyl)phthalonitrile is 119931-48-5.
What is the molecular formula of 3,6-Bis(decyl)phthalonitrile?
The molecular formula of 3,6-Bis(decyl)phthalonitrile is C28H44N2.
What is the molecular weight of 3,6-Bis(decyl)phthalonitrile?
The molecular weight of 3,6-Bis(decyl)phthalonitrile is 408.35046 g/mol.
Where can I buy 3,6-Bis(decyl)phthalonitrile?
You can request a quote for 3,6-Bis(decyl)phthalonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,6-Bis(decyl)phthalonitrile?
Yes, CoreyChem provides custom synthesis services for 3,6-Bis(decyl)phthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.