1,3-Distearyl-2-octanoylglycerol
TL;DR: 1,3-Distearyl-2-octanoylglycerol (CAS 121043-30-9) is a chemical compound with molecular formula C47H90O6 and molecular weight 751.68 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-octadecanoyloxy-2-(113C)octanoyloxypropyl) octadecanoate
Also Known As: 1,3-Distearyl-2-octanoylglycerol, 2-Octanoyl-1,3-distearin-octanoic-1-13c, 2-Octanoyl-1,3-distearin (Octanoic-1-13c,99%), Glyceryl 1,2-dioctadecanoate-3-octanoate-1-13C, 2-((1-Oxooctyl-1-13C)oxy)-1,3-propanediyl octadecanoate
| Molecular Formula | C47H90O6 |
|---|---|
| Molecular Weight | 751.68 g/mol |
| LogP | 19.8 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 46 |
| Exact Mass | 751.6771 |
| Heavy Atoms | 53 |
| Complexity | 733.0 |
Chemical Identifiers
| CAS Number | 121043-30-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)O[13C](=O)CCCCCCC |
| InChIKey | ROSIALNPQYBSCH-RBMVYKJLSA-N |
Product Overview
1,3-Distearyl-2-octanoylglycerol (CAS 121043-30-9), with molecular formula C47H90O6 and molecular weight 751.68 g/mol. IUPAC: (3-octadecanoyloxy-2-(113C)octanoyloxypropyl) octadecanoate.
Chemical Property Profile of 1,3-Distearyl-2-octanoylglycerol
Property Insights of 1,3-Distearyl-2-octanoylglycerol
The XLogP value of 19.8 indicates that 1,3-Distearyl-2-octanoylglycerol 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 1,3-Distearyl-2-octanoylglycerol. Following Lipinski's Rule of Five, 1,3-Distearyl-2-octanoylglycerol 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 1,3-Distearyl-2-octanoylglycerol?
The CAS number of 1,3-Distearyl-2-octanoylglycerol is 121043-30-9.
What is the molecular formula of 1,3-Distearyl-2-octanoylglycerol?
The molecular formula of 1,3-Distearyl-2-octanoylglycerol is C47H90O6.
What is the molecular weight of 1,3-Distearyl-2-octanoylglycerol?
The molecular weight of 1,3-Distearyl-2-octanoylglycerol is 751.68 g/mol.
Where can I buy 1,3-Distearyl-2-octanoylglycerol?
You can request a quote for 1,3-Distearyl-2-octanoylglycerol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Distearyl-2-octanoylglycerol?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Distearyl-2-octanoylglycerol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.