Isohexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester
TL;DR: Isohexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester (CAS 68957-79-9) is a chemical compound with molecular formula C51H98O6 and molecular weight 806.74 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis(14-methylpentadecanoyloxy)propyl 14-methylpentadecanoate
Also Known As: Triisopalmitin, Glycerol triisopalmitate, Glyceryl triisopalmitate, Glycerol, triisopalmitate, 1,2,3-Propanetriyl triisohexadecanoate
| Molecular Formula | C51H98O6 |
|---|---|
| Molecular Weight | 806.74 g/mol |
| LogP | 21.1 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 47 |
| Exact Mass | 806.7363 |
| Heavy Atoms | 57 |
| Complexity | 835.0 |
Chemical Identifiers
| CAS Number | 68957-79-9 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C |
| InChIKey | FUTGDWNFCMWSJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isohexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester (CAS 68957-79-9), with molecular formula C51H98O6 and molecular weight 806.74 g/mol. IUPAC: 2,3-bis(14-methylpentadecanoyloxy)propyl 14-methylpentadecanoate.
Chemical Property Profile of Isohexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester
Property Insights of Isohexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester
The XLogP value of 21.1 indicates that Isohexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Isohexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester. Following Lipinski's Rule of Five, Isohexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isohexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester?
The CAS number of Isohexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester is 68957-79-9.
What is the molecular formula of Isohexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester?
The molecular formula of Isohexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester is C51H98O6.
What is the molecular weight of Isohexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester?
The molecular weight of Isohexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester is 806.74 g/mol.
Where can I buy Isohexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester?
You can request a quote for Isohexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isohexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Isohexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.