2,2,7,7-Tetramethyloctane-1,8-diyl dipyridine-3-carboxylate
TL;DR: 2,2,7,7-Tetramethyloctane-1,8-diyl dipyridine-3-carboxylate (CAS 85018-57-1) is a chemical compound with molecular formula C24H32N2O4 and molecular weight 412.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2,7,7-tetramethyl-8-(pyridine-3-carbonyloxy)octyl] pyridine-3-carboxylate
Also Known As: Nicotinic acid, 2,2,7,7-tetramethyloctamethylene ester, 2,2,7,7-Tetramethyl-1,8-octanediol dinicotinate, 2,2,7,7-Tetramethyloctane-1,8-diyl dipyridine-3-carboxylate, 3-Pyridinecarboxylic acid, 2,2,7,7-tetramethyl-1,8-octanediyl ester, [2,2,7,7-tetramethyl-8-(pyridine-3-carbonyloxy)octyl] pyridine-3-carboxylate
| Molecular Formula | C24H32N2O4 |
|---|---|
| Molecular Weight | 412.24 g/mol |
| LogP | 5.1032 |
| Topological Polar Surface Area | 78.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 412.2362 |
| Heavy Atoms | 30 |
| Complexity | 734.97034 |
Chemical Identifiers
| CAS Number | 85018-57-1 |
|---|---|
| SMILES | CC(C)(CCCCC(C)(C)COC(=O)C1=CN=CC=C1)COC(=O)C2=CN=CC=C2 |
Product Overview
2,2,7,7-Tetramethyloctane-1,8-diyl dipyridine-3-carboxylate (CAS 85018-57-1), with molecular formula C24H32N2O4 and molecular weight 412.24 g/mol. IUPAC: [2,2,7,7-tetramethyl-8-(pyridine-3-carbonyloxy)octyl] pyridine-3-carboxylate.
Chemical Property Profile of 2,2,7,7-Tetramethyloctane-1,8-diyl dipyridine-3-carboxylate
Property Insights of 2,2,7,7-Tetramethyloctane-1,8-diyl dipyridine-3-carboxylate
The XLogP value of 5.1032 indicates that 2,2,7,7-Tetramethyloctane-1,8-diyl dipyridine-3-carboxylate 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 2,2,7,7-Tetramethyloctane-1,8-diyl dipyridine-3-carboxylate. Following Lipinski's Rule of Five, 2,2,7,7-Tetramethyloctane-1,8-diyl dipyridine-3-carboxylate 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 2,2,7,7-Tetramethyloctane-1,8-diyl dipyridine-3-carboxylate?
The CAS number of 2,2,7,7-Tetramethyloctane-1,8-diyl dipyridine-3-carboxylate is 85018-57-1.
What is the molecular formula of 2,2,7,7-Tetramethyloctane-1,8-diyl dipyridine-3-carboxylate?
The molecular formula of 2,2,7,7-Tetramethyloctane-1,8-diyl dipyridine-3-carboxylate is C24H32N2O4.
What is the molecular weight of 2,2,7,7-Tetramethyloctane-1,8-diyl dipyridine-3-carboxylate?
The molecular weight of 2,2,7,7-Tetramethyloctane-1,8-diyl dipyridine-3-carboxylate is 412.24 g/mol.
Where can I buy 2,2,7,7-Tetramethyloctane-1,8-diyl dipyridine-3-carboxylate?
You can request a quote for 2,2,7,7-Tetramethyloctane-1,8-diyl dipyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,7,7-Tetramethyloctane-1,8-diyl dipyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,7,7-Tetramethyloctane-1,8-diyl dipyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.