3-Pyridinecarboxylic acid, 2,2,11,11-tetramethyl-1,12-dodecanediyl ester
TL;DR: 3-Pyridinecarboxylic acid, 2,2,11,11-tetramethyl-1,12-dodecanediyl ester (CAS 85018-62-8) is a chemical compound with molecular formula C28H40N2O4 and molecular weight 468.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2,11,11-tetramethyl-12-(pyridine-3-carbonyloxy)dodecyl] pyridine-3-carboxylate
Also Known As: Nicotinic acid, 2,2,11,11-tetramethyldodecamethylene ester, 3-Pyridinecarboxylic acid, 2,2,11,11-tetramethyl-1,12-dodecanediyl ester, 2,2,11,11-Tetramethyl-1,12-dodecanediol dinicotinate, 2,2,11,11-Tetramethyldodecane-1,12-diyl dipyridine-3-carboxylate, [2,2,11,11-tetramethyl-12-(pyridine-3-carbonyloxy)dodecyl] pyridine-3-carboxylate
| Molecular Formula | C28H40N2O4 |
|---|---|
| Molecular Weight | 468.30 g/mol |
| LogP | 6.6636 |
| Topological Polar Surface Area | 78.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 468.2988 |
| Heavy Atoms | 34 |
| Complexity | 792.98956 |
Chemical Identifiers
| CAS Number | 85018-62-8 |
|---|---|
| SMILES | CC(C)(CCCCCCCCC(C)(C)COC(=O)C1=CN=CC=C1)COC(=O)C2=CN=CC=C2 |
Product Overview
3-Pyridinecarboxylic acid, 2,2,11,11-tetramethyl-1,12-dodecanediyl ester (CAS 85018-62-8), with molecular formula C28H40N2O4 and molecular weight 468.30 g/mol. IUPAC: [2,2,11,11-tetramethyl-12-(pyridine-3-carbonyloxy)dodecyl] pyridine-3-carboxylate.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 2,2,11,11-tetramethyl-1,12-dodecanediyl ester
Property Insights of 3-Pyridinecarboxylic acid, 2,2,11,11-tetramethyl-1,12-dodecanediyl ester
The XLogP value of 6.6636 indicates that 3-Pyridinecarboxylic acid, 2,2,11,11-tetramethyl-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, 2,2,11,11-tetramethyl-1,12-dodecanediyl ester. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 2,2,11,11-tetramethyl-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, 2,2,11,11-tetramethyl-1,12-dodecanediyl ester?
The CAS number of 3-Pyridinecarboxylic acid, 2,2,11,11-tetramethyl-1,12-dodecanediyl ester is 85018-62-8.
What is the molecular formula of 3-Pyridinecarboxylic acid, 2,2,11,11-tetramethyl-1,12-dodecanediyl ester?
The molecular formula of 3-Pyridinecarboxylic acid, 2,2,11,11-tetramethyl-1,12-dodecanediyl ester is C28H40N2O4.
What is the molecular weight of 3-Pyridinecarboxylic acid, 2,2,11,11-tetramethyl-1,12-dodecanediyl ester?
The molecular weight of 3-Pyridinecarboxylic acid, 2,2,11,11-tetramethyl-1,12-dodecanediyl ester is 468.30 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 2,2,11,11-tetramethyl-1,12-dodecanediyl ester?
You can request a quote for 3-Pyridinecarboxylic acid, 2,2,11,11-tetramethyl-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, 2,2,11,11-tetramethyl-1,12-dodecanediyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 2,2,11,11-tetramethyl-1,12-dodecanediyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.