Isonicotinic acid, hexadecyl ester
TL;DR: Isonicotinic acid, hexadecyl ester (CAS 81672-33-5) is a chemical compound with molecular formula C22H37NO2 and molecular weight 347.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecyl pyridine-4-carboxylate
Also Known As: hexadecyl pyridine-4-carboxylate, Hexadecyl isonicotinate, Isonicotinic acid, hexadecyl ester, Isonicotinic acid hexadecyl ester, 4-Pyridinecarboxylic acid, hexadecyl ester
| Molecular Formula | C22H37NO2 |
|---|---|
| Molecular Weight | 347.28 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 17 |
| Exact Mass | 347.28244 |
| Heavy Atoms | 25 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 81672-33-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=O)C1=CC=NC=C1 |
| InChIKey | STUBJXFCGLTLMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isonicotinic acid, hexadecyl ester (CAS 81672-33-5), with molecular formula C22H37NO2 and molecular weight 347.28 g/mol. IUPAC: hexadecyl pyridine-4-carboxylate.
Chemical Property Profile of Isonicotinic acid, hexadecyl ester
Property Insights of Isonicotinic acid, hexadecyl ester
The XLogP value of 9.0 indicates that Isonicotinic acid, hexadecyl 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, Isonicotinic acid, hexadecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonicotinic acid, hexadecyl 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 Isonicotinic acid, hexadecyl ester?
The CAS number of Isonicotinic acid, hexadecyl ester is 81672-33-5.
What is the molecular formula of Isonicotinic acid, hexadecyl ester?
The molecular formula of Isonicotinic acid, hexadecyl ester is C22H37NO2.
What is the molecular weight of Isonicotinic acid, hexadecyl ester?
The molecular weight of Isonicotinic acid, hexadecyl ester is 347.28 g/mol.
Where can I buy Isonicotinic acid, hexadecyl ester?
You can request a quote for Isonicotinic acid, hexadecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isonicotinic acid, hexadecyl ester?
Yes, KEHONG BIO provides custom synthesis services for Isonicotinic acid, hexadecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.