Octacosanenitrile
TL;DR: Octacosanenitrile (CAS 127833-44-7) is a chemical compound with molecular formula C28H55N and molecular weight 405.43344 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octacosanenitrile
Also Known As: Octacosanenitrile, 2-Carboxymethyl-4-phenyl-1,2-dihydro-1-oxo-phthalazine
Technical Specifications
| Molecular Formula | C28H55N |
| Molecular Weight | 405.43344 g/mol |
| XLogP | 13.4 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 25 |
| Exact Mass | 405.43344 Da |
| Heavy Atoms | 29 |
| Complexity | 326.0 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCC#N |
| InChIKey | VPYLCZCBHYWZGZ-UHFFFAOYSA-N |
Chemical Property Profile of Octacosanenitrile
Property Insights of Octacosanenitrile
The XLogP value of 13.4 indicates that Octacosanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, Octacosanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octacosanenitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Octacosanenitrile?
The CAS number of Octacosanenitrile is 127833-44-7.
What is the molecular formula of Octacosanenitrile?
The molecular formula of Octacosanenitrile is C28H55N.
What is the molecular weight of Octacosanenitrile?
The molecular weight of Octacosanenitrile is 405.43344 g/mol.
Where can I buy Octacosanenitrile?
You can request a quote for Octacosanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octacosanenitrile?
Yes, CoreyChem provides custom synthesis services for Octacosanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.