3-Pyridinecarboxylic acid, 2,3-bis((1-oxohexadecyl)oxy)propyl ester
TL;DR: 3-Pyridinecarboxylic acid, 2,3-bis((1-oxohexadecyl)oxy)propyl ester (CAS 160555-46-4) is a chemical compound with molecular formula C41H71NO6 and molecular weight 673.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-di(hexadecanoyloxy)propyl pyridine-3-carboxylate
Also Known As: s16961, 2,3-di(hexadecanoyloxy)propyl pyridine-3-carboxylate, HY-U00281, Glycerin 1,2-bispalmitate 3-nicotinate, S-16961
| Molecular Formula | C41H71NO6 |
|---|---|
| Molecular Weight | 673.53 g/mol |
| LogP | 15.2 |
| Topological Polar Surface Area | 91.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 37 |
| Exact Mass | 673.52814 |
| Heavy Atoms | 48 |
| Complexity | 759.0 |
Chemical Identifiers
| CAS Number | 160555-46-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C1=CN=CC=C1)OC(=O)CCCCCCCCCCCCCCC |
| InChIKey | HOTHIZPJZICUAJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Pyridinecarboxylic acid, 2,3-bis((1-oxohexadecyl)oxy)propyl ester (CAS 160555-46-4), with molecular formula C41H71NO6 and molecular weight 673.53 g/mol. IUPAC: 2,3-di(hexadecanoyloxy)propyl pyridine-3-carboxylate.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 2,3-bis((1-oxohexadecyl)oxy)propyl ester
Property Insights of 3-Pyridinecarboxylic acid, 2,3-bis((1-oxohexadecyl)oxy)propyl ester
The XLogP value of 15.2 indicates that 3-Pyridinecarboxylic acid, 2,3-bis((1-oxohexadecyl)oxy)propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinecarboxylic acid, 2,3-bis((1-oxohexadecyl)oxy)propyl ester. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 2,3-bis((1-oxohexadecyl)oxy)propyl ester has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Pyridinecarboxylic acid, 2,3-bis((1-oxohexadecyl)oxy)propyl ester?
The CAS number of 3-Pyridinecarboxylic acid, 2,3-bis((1-oxohexadecyl)oxy)propyl ester is 160555-46-4.
What is the molecular formula of 3-Pyridinecarboxylic acid, 2,3-bis((1-oxohexadecyl)oxy)propyl ester?
The molecular formula of 3-Pyridinecarboxylic acid, 2,3-bis((1-oxohexadecyl)oxy)propyl ester is C41H71NO6.
What is the molecular weight of 3-Pyridinecarboxylic acid, 2,3-bis((1-oxohexadecyl)oxy)propyl ester?
The molecular weight of 3-Pyridinecarboxylic acid, 2,3-bis((1-oxohexadecyl)oxy)propyl ester is 673.53 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 2,3-bis((1-oxohexadecyl)oxy)propyl ester?
You can request a quote for 3-Pyridinecarboxylic acid, 2,3-bis((1-oxohexadecyl)oxy)propyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarboxylic acid, 2,3-bis((1-oxohexadecyl)oxy)propyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 2,3-bis((1-oxohexadecyl)oxy)propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.