Octyl nicotinate
TL;DR: Octyl nicotinate (CAS 70136-02-6) is a chemical compound with molecular formula C14H21NO2 and molecular weight 235.15723 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octyl pyridine-3-carboxylate
Also Known As: Octyl nicotinate, n-Octyl Nicotinate, octyl pyridine-3-carboxylate, octylnicotinate, Nicotinic Acid n-Octyl Ester
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H21NO2 |
| Molecular Weight | 235.15723 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 235.15723 Da |
| Heavy Atoms | 17 |
| Complexity | 206.0 |
| SMILES | CCCCCCCCOC(=O)C1=CN=CC=C1 |
| InChIKey | TYBQVEHLLOHMLT-UHFFFAOYSA-N |
Chemical Property Profile of Octyl nicotinate
Property Insights of Octyl nicotinate
The XLogP value of 4.7 indicates that Octyl 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, Octyl nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl nicotinate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Octyl nicotinate?
The CAS number of Octyl nicotinate is 70136-02-6.
What is the molecular formula of Octyl nicotinate?
The molecular formula of Octyl nicotinate is C14H21NO2.
What is the molecular weight of Octyl nicotinate?
The molecular weight of Octyl nicotinate is 235.15723 g/mol.
Where can I buy Octyl nicotinate?
You can request a quote for Octyl nicotinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octyl nicotinate?
Yes, CoreyChem provides custom synthesis services for Octyl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.