Hexadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester
TL;DR: Hexadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester (CAS 68784-90-7) is a chemical compound with molecular formula C28H56O2 and molecular weight 424.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6,8-trimethylnonan-4-yl hexadecanoate
Also Known As: 2,6,8-Trimethyl-4-nonyl palmitate, 2,6,8-trimethylnonan-4-yl hexadecanoate, 2,6,8-trimethylnonan-4-yl palmitate, 3,5-Dimethyl-1-(2-methylpropyl)hexyl palmitate, Hexadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester
| Molecular Formula | C28H56O2 |
|---|---|
| Molecular Weight | 424.43 g/mol |
| LogP | 12.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 22 |
| Exact Mass | 424.42804 |
| Heavy Atoms | 30 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 68784-90-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OC(CC(C)C)CC(C)CC(C)C |
| InChIKey | CQCZSONTBHAKRK-UHFFFAOYSA-N |
Product Overview
Hexadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester (CAS 68784-90-7), with molecular formula C28H56O2 and molecular weight 424.43 g/mol. IUPAC: 2,6,8-trimethylnonan-4-yl hexadecanoate.
Chemical Property Profile of Hexadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester
Property Insights of Hexadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester
The XLogP value of 12.2 indicates that Hexadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester?
The CAS number of Hexadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester is 68784-90-7.
What is the molecular formula of Hexadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester?
The molecular formula of Hexadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester is C28H56O2.
What is the molecular weight of Hexadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester?
The molecular weight of Hexadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester is 424.43 g/mol.
Where can I buy Hexadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester?
You can request a quote for Hexadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.