3-Pyridinecarboxylic acid, 2,10-diethyl-2,10-dimethyl-1,11-undecanediyl ester
TL;DR: 3-Pyridinecarboxylic acid, 2,10-diethyl-2,10-dimethyl-1,11-undecanediyl ester (CAS 85018-76-4) is a chemical compound with molecular formula C29H42N2O4 and molecular weight 482.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-ethyl-2,10-dimethyl-10-(pyridine-3-carbonyloxymethyl)dodecyl] pyridine-3-carboxylate
Also Known As: Nicotinic acid, 2,10-diethyl-2,10-dimethylundecamethylene ester, 3-Pyridinecarboxylic acid, 2,10-diethyl-2,10-dimethyl-1,11-undecanediyl ester, [2-ethyl-2,10-dimethyl-10-(pyridine-3-carbonyloxymethyl)dodecyl] pyridine-3-carboxylate, 2-Ethyl-2,10-dimethyl-10-{[(pyridine-3-carbonyl)oxy]methyl}dodecyl pyridine-3-carboxylate, RefChem:282210
| Molecular Formula | C29H42N2O4 |
|---|---|
| Molecular Weight | 482.31 g/mol |
| LogP | 7.0537 |
| Topological Polar Surface Area | 78.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 482.31445 |
| Heavy Atoms | 35 |
| Complexity | 816.56946 |
Chemical Identifiers
| CAS Number | 85018-76-4 |
|---|---|
| SMILES | CCC(C)(CCCCCCCC(C)(CC)COC(=O)C1=CN=CC=C1)COC(=O)C2=CN=CC=C2 |
Product Overview
3-Pyridinecarboxylic acid, 2,10-diethyl-2,10-dimethyl-1,11-undecanediyl ester (CAS 85018-76-4), with molecular formula C29H42N2O4 and molecular weight 482.31 g/mol. IUPAC: [2-ethyl-2,10-dimethyl-10-(pyridine-3-carbonyloxymethyl)dodecyl] pyridine-3-carboxylate.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 2,10-diethyl-2,10-dimethyl-1,11-undecanediyl ester
Property Insights of 3-Pyridinecarboxylic acid, 2,10-diethyl-2,10-dimethyl-1,11-undecanediyl ester
The XLogP value of 7.0537 indicates that 3-Pyridinecarboxylic acid, 2,10-diethyl-2,10-dimethyl-1,11-undecanediyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinecarboxylic acid, 2,10-diethyl-2,10-dimethyl-1,11-undecanediyl ester. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 2,10-diethyl-2,10-dimethyl-1,11-undecanediyl ester has 0 hydrogen bond donor(s) and 6 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, 2,10-diethyl-2,10-dimethyl-1,11-undecanediyl ester?
The CAS number of 3-Pyridinecarboxylic acid, 2,10-diethyl-2,10-dimethyl-1,11-undecanediyl ester is 85018-76-4.
What is the molecular formula of 3-Pyridinecarboxylic acid, 2,10-diethyl-2,10-dimethyl-1,11-undecanediyl ester?
The molecular formula of 3-Pyridinecarboxylic acid, 2,10-diethyl-2,10-dimethyl-1,11-undecanediyl ester is C29H42N2O4.
What is the molecular weight of 3-Pyridinecarboxylic acid, 2,10-diethyl-2,10-dimethyl-1,11-undecanediyl ester?
The molecular weight of 3-Pyridinecarboxylic acid, 2,10-diethyl-2,10-dimethyl-1,11-undecanediyl ester is 482.31 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 2,10-diethyl-2,10-dimethyl-1,11-undecanediyl ester?
You can request a quote for 3-Pyridinecarboxylic acid, 2,10-diethyl-2,10-dimethyl-1,11-undecanediyl 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, 2,10-diethyl-2,10-dimethyl-1,11-undecanediyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 2,10-diethyl-2,10-dimethyl-1,11-undecanediyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.