Nicotinic acid, decyl ester
TL;DR: Nicotinic acid, decyl ester (CAS 5454-41-1) is a chemical compound with molecular formula C16H25NO2 and molecular weight 263.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl pyridine-3-carboxylate
Also Known As: Nicotinic acid, decyl ester, decyl nicotinate, decyl pyridine-3-carboxylate, Nicotinsaeure-decylester, decylpyridine-3-carboxylate
| Molecular Formula | C16H25NO2 |
|---|---|
| Molecular Weight | 263.19 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 263.18854 |
| Heavy Atoms | 19 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 5454-41-1 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C1=CN=CC=C1 |
| InChIKey | OVSJCKDIBDNMMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nicotinic acid, decyl ester (CAS 5454-41-1), with molecular formula C16H25NO2 and molecular weight 263.19 g/mol. IUPAC: decyl pyridine-3-carboxylate.
Chemical Property Profile of Nicotinic acid, decyl ester
Property Insights of Nicotinic acid, decyl ester
The XLogP value of 5.8 indicates that Nicotinic acid, decyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, Nicotinic acid, decyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicotinic acid, decyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nicotinic acid, decyl ester?
The CAS number of Nicotinic acid, decyl ester is 5454-41-1.
What is the molecular formula of Nicotinic acid, decyl ester?
The molecular formula of Nicotinic acid, decyl ester is C16H25NO2.
What is the molecular weight of Nicotinic acid, decyl ester?
The molecular weight of Nicotinic acid, decyl ester is 263.19 g/mol.
Where can I buy Nicotinic acid, decyl ester?
You can request a quote for Nicotinic acid, decyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotinic acid, decyl ester?
Yes, KEHONG BIO provides custom synthesis services for Nicotinic acid, decyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.