Isooctadecanoic acid, 1,1'-(1-methyl-1,2-ethanediyl) ester
TL;DR: Isooctadecanoic acid, 1,1'-(1-methyl-1,2-ethanediyl) ester (CAS 68958-54-3) is a chemical compound with molecular formula C39H76O4 and molecular weight 608.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(16-methylheptadecanoyloxy)propyl 16-methylheptadecanoate
Also Known As: Propylene glycol diisostearate, 1-Methyl-1,2-ethanediyl diisooctadecanoate, propane-1,2-diyl bis(16-methylheptadecanoate), Isooctadecanoic acid, 1-methyl-1,2-ethanediyl ester, 2-(16-methylheptadecanoyloxy)propyl 16-methylheptadecanoate
| Molecular Formula | C39H76O4 |
|---|---|
| Molecular Weight | 608.57 g/mol |
| LogP | 16.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 35 |
| Exact Mass | 608.57434 |
| Heavy Atoms | 43 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 68958-54-3 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCCCCCC(C)C |
| InChIKey | OATHWIHWTWDNLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isooctadecanoic acid, 1,1'-(1-methyl-1,2-ethanediyl) ester (CAS 68958-54-3), with molecular formula C39H76O4 and molecular weight 608.57 g/mol. IUPAC: 2-(16-methylheptadecanoyloxy)propyl 16-methylheptadecanoate.
Chemical Property Profile of Isooctadecanoic acid, 1,1'-(1-methyl-1,2-ethanediyl) ester
Property Insights of Isooctadecanoic acid, 1,1'-(1-methyl-1,2-ethanediyl) ester
The XLogP value of 16.7 indicates that Isooctadecanoic acid, 1,1'-(1-methyl-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, Isooctadecanoic acid, 1,1'-(1-methyl-1,2-ethanediyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isooctadecanoic acid, 1,1'-(1-methyl-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 Isooctadecanoic acid, 1,1'-(1-methyl-1,2-ethanediyl) ester?
The CAS number of Isooctadecanoic acid, 1,1'-(1-methyl-1,2-ethanediyl) ester is 68958-54-3.
What is the molecular formula of Isooctadecanoic acid, 1,1'-(1-methyl-1,2-ethanediyl) ester?
The molecular formula of Isooctadecanoic acid, 1,1'-(1-methyl-1,2-ethanediyl) ester is C39H76O4.
What is the molecular weight of Isooctadecanoic acid, 1,1'-(1-methyl-1,2-ethanediyl) ester?
The molecular weight of Isooctadecanoic acid, 1,1'-(1-methyl-1,2-ethanediyl) ester is 608.57 g/mol.
Where can I buy Isooctadecanoic acid, 1,1'-(1-methyl-1,2-ethanediyl) ester?
You can request a quote for Isooctadecanoic acid, 1,1'-(1-methyl-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 Isooctadecanoic acid, 1,1'-(1-methyl-1,2-ethanediyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Isooctadecanoic acid, 1,1'-(1-methyl-1,2-ethanediyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.