3-Pyridinecarboxylic acid, 2,11-dibutyl-2,11-dimethyl-1,12-dodecanediyl ester
TL;DR: 3-Pyridinecarboxylic acid, 2,11-dibutyl-2,11-dimethyl-1,12-dodecanediyl ester (CAS 85018-82-2) is a chemical compound with molecular formula C34H52N2O4 and molecular weight 552.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-butyl-2,11-dimethyl-11-(pyridine-3-carbonyloxymethyl)pentadecyl] pyridine-3-carboxylate
Also Known As: Nicotinic acid, 2,11-dibutyl-2,11-dimethyldodecamethylene ester, 3-Pyridinecarboxylic acid, 2,11-dibutyl-2,11-dimethyl-1,12-dodecanediyl ester, [2-butyl-2,11-dimethyl-11-(pyridine-3-carbonyloxymethyl)pentadecyl] pyridine-3-carboxylate, 2-Butyl-2,11-dimethyl-11-{[(pyridine-3-carbonyl)oxy]methyl}pentadecyl pyridine-3-carboxylate, RefChem:282211
| Molecular Formula | C34H52N2O4 |
|---|---|
| Molecular Weight | 552.39 g/mol |
| LogP | 9.0042 |
| Topological Polar Surface Area | 78.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 21 |
| Exact Mass | 552.3927 |
| Heavy Atoms | 40 |
| Complexity | 888.9217 |
Chemical Identifiers
| CAS Number | 85018-82-2 |
|---|---|
| SMILES | CCCCC(C)(CCCCCCCCC(C)(CCCC)COC(=O)C1=CN=CC=C1)COC(=O)C2=CN=CC=C2 |
Product Overview
3-Pyridinecarboxylic acid, 2,11-dibutyl-2,11-dimethyl-1,12-dodecanediyl ester (CAS 85018-82-2), with molecular formula C34H52N2O4 and molecular weight 552.39 g/mol. IUPAC: [2-butyl-2,11-dimethyl-11-(pyridine-3-carbonyloxymethyl)pentadecyl] pyridine-3-carboxylate.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 2,11-dibutyl-2,11-dimethyl-1,12-dodecanediyl ester
Property Insights of 3-Pyridinecarboxylic acid, 2,11-dibutyl-2,11-dimethyl-1,12-dodecanediyl ester
The XLogP value of 9.0042 indicates that 3-Pyridinecarboxylic acid, 2,11-dibutyl-2,11-dimethyl-1,12-dodecanediyl 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, 2,11-dibutyl-2,11-dimethyl-1,12-dodecanediyl ester. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 2,11-dibutyl-2,11-dimethyl-1,12-dodecanediyl 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, 2,11-dibutyl-2,11-dimethyl-1,12-dodecanediyl ester?
The CAS number of 3-Pyridinecarboxylic acid, 2,11-dibutyl-2,11-dimethyl-1,12-dodecanediyl ester is 85018-82-2.
What is the molecular formula of 3-Pyridinecarboxylic acid, 2,11-dibutyl-2,11-dimethyl-1,12-dodecanediyl ester?
The molecular formula of 3-Pyridinecarboxylic acid, 2,11-dibutyl-2,11-dimethyl-1,12-dodecanediyl ester is C34H52N2O4.
What is the molecular weight of 3-Pyridinecarboxylic acid, 2,11-dibutyl-2,11-dimethyl-1,12-dodecanediyl ester?
The molecular weight of 3-Pyridinecarboxylic acid, 2,11-dibutyl-2,11-dimethyl-1,12-dodecanediyl ester is 552.39 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 2,11-dibutyl-2,11-dimethyl-1,12-dodecanediyl ester?
You can request a quote for 3-Pyridinecarboxylic acid, 2,11-dibutyl-2,11-dimethyl-1,12-dodecanediyl 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, 2,11-dibutyl-2,11-dimethyl-1,12-dodecanediyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 2,11-dibutyl-2,11-dimethyl-1,12-dodecanediyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.