Hexadecyl nicotinate
TL;DR: Hexadecyl nicotinate (CAS 66170-39-6) is a chemical compound with molecular formula C22H37NO2 and molecular weight 347.28244 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexadecyl pyridine-3-carboxylate
Also Known As: Hexadecyl nicotinate, hexadecylnicotinate, hexadecyl pyridine-3-carboxylate, Hexadecyl nicotinate #, Nicotinic acid, hexadecyl ester
Technical Specifications
| Molecular Formula | C22H37NO2 |
| Molecular Weight | 347.28244 g/mol |
| XLogP | 9.0 |
| Topological Polar Surface Area (TPSA) | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 17 |
| Exact Mass | 347.28244 Da |
| Heavy Atoms | 25 |
| Complexity | 306.0 |
| SMILES | CCCCCCCCCCCCCCCCOC(=O)C1=CN=CC=C1 |
| InChIKey | SIYPIMGFUQHRFF-UHFFFAOYSA-N |
Chemical Property Profile of Hexadecyl nicotinate
Property Insights of Hexadecyl nicotinate
The XLogP value of 9.0 indicates that Hexadecyl nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, Hexadecyl nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadecyl nicotinate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Hexadecyl nicotinate?
The CAS number of Hexadecyl nicotinate is 66170-39-6.
What is the molecular formula of Hexadecyl nicotinate?
The molecular formula of Hexadecyl nicotinate is C22H37NO2.
What is the molecular weight of Hexadecyl nicotinate?
The molecular weight of Hexadecyl nicotinate is 347.28244 g/mol.
Where can I buy Hexadecyl nicotinate?
You can request a quote for Hexadecyl nicotinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexadecyl nicotinate?
Yes, CoreyChem provides custom synthesis services for Hexadecyl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.