Hexyl nicotinate
TL;DR: Hexyl nicotinate (CAS 23597-82-2) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl pyridine-3-carboxylate
Also Known As: Hexyl nicotinate, Hexyl nicotinoate, Nicotherm, 3-Pyridinecarboxylic acid, hexyl ester, hexylnicotinate
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 23597-82-2 |
|---|---|
| SMILES | CCCCCCOC(=O)C1=CN=CC=C1 |
| InChIKey | RVYGVBZGSFLJKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl nicotinate (CAS 23597-82-2), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: hexyl pyridine-3-carboxylate.
Chemical Property Profile of Hexyl nicotinate
Property Insights of Hexyl nicotinate
The XLogP value of 3.6 indicates that Hexyl 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, Hexyl nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 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
Frequently Asked Questions
What is the CAS number of Hexyl nicotinate?
The CAS number of Hexyl nicotinate is 23597-82-2.
What is the molecular formula of Hexyl nicotinate?
The molecular formula of Hexyl nicotinate is C12H17NO2.
What is the molecular weight of Hexyl nicotinate?
The molecular weight of Hexyl nicotinate is 207.13 g/mol.
Where can I buy Hexyl nicotinate?
You can request a quote for Hexyl nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.