Hexadecanoic acid, 1,1-dimethyl-1,2-ethanediyl ester
TL;DR: Hexadecanoic acid, 1,1-dimethyl-1,2-ethanediyl ester (CAS 56630-27-4) is a chemical compound with molecular formula C36H70O4 and molecular weight 566.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-hexadecanoyloxy-2-methylpropyl) hexadecanoate
Also Known As: Bis 2-methyl-1,2-propanediylester, 1,1-Dimethyl-2-(palmitoyloxy)ethyl palmitate, (2-hexadecanoyloxy-2-methylpropyl) hexadecanoate, 1,1-Dimethyl-2-(palmitoyloxy)ethyl palmitate #, Bispalmitic acid 2-methyl-1,2-propanediyl ester
| Molecular Formula | C36H70O4 |
|---|---|
| Molecular Weight | 566.53 g/mol |
| LogP | 15.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 33 |
| Exact Mass | 566.5274 |
| Heavy Atoms | 40 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 56630-27-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(C)(C)OC(=O)CCCCCCCCCCCCCCC |
| InChIKey | SDLZWDWJCAHJTI-UHFFFAOYSA-N |
Product Overview
Hexadecanoic acid, 1,1-dimethyl-1,2-ethanediyl ester (CAS 56630-27-4), with molecular formula C36H70O4 and molecular weight 566.53 g/mol. IUPAC: (2-hexadecanoyloxy-2-methylpropyl) hexadecanoate.
Chemical Property Profile of Hexadecanoic acid, 1,1-dimethyl-1,2-ethanediyl ester
Property Insights of Hexadecanoic acid, 1,1-dimethyl-1,2-ethanediyl ester
The XLogP value of 15.3 indicates that Hexadecanoic acid, 1,1-dimethyl-1,2-ethanediyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Hexadecanoic acid, 1,1-dimethyl-1,2-ethanediyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadecanoic acid, 1,1-dimethyl-1,2-ethanediyl ester has 0 hydrogen bond donor(s) and 4 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, 1,1-dimethyl-1,2-ethanediyl ester?
The CAS number of Hexadecanoic acid, 1,1-dimethyl-1,2-ethanediyl ester is 56630-27-4.
What is the molecular formula of Hexadecanoic acid, 1,1-dimethyl-1,2-ethanediyl ester?
The molecular formula of Hexadecanoic acid, 1,1-dimethyl-1,2-ethanediyl ester is C36H70O4.
What is the molecular weight of Hexadecanoic acid, 1,1-dimethyl-1,2-ethanediyl ester?
The molecular weight of Hexadecanoic acid, 1,1-dimethyl-1,2-ethanediyl ester is 566.53 g/mol.
Where can I buy Hexadecanoic acid, 1,1-dimethyl-1,2-ethanediyl ester?
You can request a quote for Hexadecanoic acid, 1,1-dimethyl-1,2-ethanediyl 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, 1,1-dimethyl-1,2-ethanediyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexadecanoic acid, 1,1-dimethyl-1,2-ethanediyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.