4-((2-Cyanoethyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl palmitate
TL;DR: 4-((2-Cyanoethyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl palmitate (CAS 300834-83-7) is a chemical compound with molecular formula C25H46N2O4 and molecular weight 438.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-cyanoethylamino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] hexadecanoate
Also Known As: 4-((2-cyanoethyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl palmitate, [3-(2-cyanoethylcarbamoyl)-3-hydroxy-2,2-dimethyl-propyl] Hexadecanoate, [4-(2-cyanoethylamino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] hexadecanoate
| Molecular Formula | C25H46N2O4 |
|---|---|
| Molecular Weight | 438.35 g/mol |
| LogP | 5.42788 |
| Topological Polar Surface Area | 99.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 20 |
| Exact Mass | 438.34576 |
| Heavy Atoms | 31 |
| Complexity | 514.1416 |
Chemical Identifiers
| CAS Number | 300834-83-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(C)(C)C(C(=O)NCCC#N)O |
Product Overview
4-((2-Cyanoethyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl palmitate (CAS 300834-83-7), with molecular formula C25H46N2O4 and molecular weight 438.35 g/mol. IUPAC: [4-(2-cyanoethylamino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] hexadecanoate.
Chemical Property Profile of 4-((2-Cyanoethyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl palmitate
Property Insights of 4-((2-Cyanoethyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl palmitate
The XLogP value of 5.42788 indicates that 4-((2-Cyanoethyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl palmitate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2-Cyanoethyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl palmitate. Following Lipinski's Rule of Five, 4-((2-Cyanoethyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl palmitate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((2-Cyanoethyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl palmitate?
The CAS number of 4-((2-Cyanoethyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl palmitate is 300834-83-7.
What is the molecular formula of 4-((2-Cyanoethyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl palmitate?
The molecular formula of 4-((2-Cyanoethyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl palmitate is C25H46N2O4.
What is the molecular weight of 4-((2-Cyanoethyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl palmitate?
The molecular weight of 4-((2-Cyanoethyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl palmitate is 438.35 g/mol.
Where can I buy 4-((2-Cyanoethyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl palmitate?
You can request a quote for 4-((2-Cyanoethyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl palmitate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2-Cyanoethyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl palmitate?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-Cyanoethyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl palmitate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.