2-Methyl-2-propylpropane-1,3-diyl dinicotinate
TL;DR: 2-Methyl-2-propylpropane-1,3-diyl dinicotinate (CAS 13671-63-1) is a chemical compound with molecular formula C19H22N2O4 and molecular weight 342.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-2-(pyridine-3-carbonyloxymethyl)pentyl] pyridine-3-carboxylate
Also Known As: 2-Methyl-2-propylpropane-1,3-diyl dinicotinate, [2-methyl-2-(pyridine-3-carbonyloxymethyl)pentyl] pyridine-3-carboxylate, 2-methyl-2-{[(pyridin-3-ylcarbonyl)oxy]methyl}pentyl nicotinate, Bisnicotinic acid 2-methyl-2-propylpropane-1,3-diyl ester, 3-Pyridinecarboxylic acid, 2-methyl-2-propyl-1,3-propanediyl ester
| Molecular Formula | C19H22N2O4 |
|---|---|
| Molecular Weight | 342.16 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 342.15796 |
| Heavy Atoms | 25 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 13671-63-1 |
|---|---|
| SMILES | CCCC(C)(COC(=O)C1=CN=CC=C1)COC(=O)C2=CN=CC=C2 |
| InChIKey | XVBCWIBXVAJLPL-UHFFFAOYSA-N |
Product Overview
2-Methyl-2-propylpropane-1,3-diyl dinicotinate (CAS 13671-63-1), with molecular formula C19H22N2O4 and molecular weight 342.16 g/mol. IUPAC: [2-methyl-2-(pyridine-3-carbonyloxymethyl)pentyl] pyridine-3-carboxylate.
Chemical Property Profile of 2-Methyl-2-propylpropane-1,3-diyl dinicotinate
Property Insights of 2-Methyl-2-propylpropane-1,3-diyl dinicotinate
The XLogP value of 3.3 indicates that 2-Methyl-2-propylpropane-1,3-diyl dinicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-2-propylpropane-1,3-diyl dinicotinate. Following Lipinski's Rule of Five, 2-Methyl-2-propylpropane-1,3-diyl dinicotinate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Methyl-2-propylpropane-1,3-diyl dinicotinate?
The CAS number of 2-Methyl-2-propylpropane-1,3-diyl dinicotinate is 13671-63-1.
What is the molecular formula of 2-Methyl-2-propylpropane-1,3-diyl dinicotinate?
The molecular formula of 2-Methyl-2-propylpropane-1,3-diyl dinicotinate is C19H22N2O4.
What is the molecular weight of 2-Methyl-2-propylpropane-1,3-diyl dinicotinate?
The molecular weight of 2-Methyl-2-propylpropane-1,3-diyl dinicotinate is 342.16 g/mol.
Where can I buy 2-Methyl-2-propylpropane-1,3-diyl dinicotinate?
You can request a quote for 2-Methyl-2-propylpropane-1,3-diyl dinicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-2-propylpropane-1,3-diyl dinicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2-propylpropane-1,3-diyl dinicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.