Nicotinic acid, pentadecyl ester
TL;DR: Nicotinic acid, pentadecyl ester (CAS 124424-97-1) is a chemical compound with molecular formula C21H35NO2 and molecular weight 333.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentadecyl pyridine-3-carboxylate
Also Known As: Nicotinic acid, pentadecyl ester, Pentadecan-1-ol, nicotinate, pentadecyl pyridine-3-carboxylate, 3-Pyridinecarboxylic acid, pentadecyl ester
| Molecular Formula | C21H35NO2 |
|---|---|
| Molecular Weight | 333.27 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 333.26678 |
| Heavy Atoms | 24 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 124424-97-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCOC(=O)C1=CN=CC=C1 |
| InChIKey | DDAXSEWWNPAMQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nicotinic acid, pentadecyl ester (CAS 124424-97-1), with molecular formula C21H35NO2 and molecular weight 333.27 g/mol. IUPAC: pentadecyl pyridine-3-carboxylate.
Chemical Property Profile of Nicotinic acid, pentadecyl ester
Property Insights of Nicotinic acid, pentadecyl ester
The XLogP value of 8.5 indicates that Nicotinic acid, pentadecyl 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, pentadecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicotinic acid, pentadecyl 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, pentadecyl ester?
The CAS number of Nicotinic acid, pentadecyl ester is 124424-97-1.
What is the molecular formula of Nicotinic acid, pentadecyl ester?
The molecular formula of Nicotinic acid, pentadecyl ester is C21H35NO2.
What is the molecular weight of Nicotinic acid, pentadecyl ester?
The molecular weight of Nicotinic acid, pentadecyl ester is 333.27 g/mol.
Where can I buy Nicotinic acid, pentadecyl ester?
You can request a quote for Nicotinic acid, pentadecyl 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, pentadecyl ester?
Yes, KEHONG BIO provides custom synthesis services for Nicotinic acid, pentadecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.