Glyceryl 1,3-dibehenate
TL;DR: Glyceryl 1,3-dibehenate (CAS 99880-64-5) is a chemical compound with molecular formula C47H92O5 and molecular weight 736.69 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-docosanoyloxy-2-hydroxypropyl) docosanoate
Also Known As: Didocosanoin, Diacylglycerol, Diglyceride, 1,3-dibehenin, 2-Hydroxypropane-1,3-diyl didocosanoate
| Molecular Formula | C47H92O5 |
|---|---|
| Molecular Weight | 736.69 g/mol |
| LogP | 15.0775 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 44 |
| Exact Mass | 736.69446 |
| Heavy Atoms | 52 |
| Complexity | 651.8994 |
Chemical Identifiers
| CAS Number | 99880-64-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)O |
Product Overview
Glyceryl 1,3-dibehenate (CAS 99880-64-5), with molecular formula C47H92O5 and molecular weight 736.69 g/mol. IUPAC: (3-docosanoyloxy-2-hydroxypropyl) docosanoate.
Chemical Property Profile of Glyceryl 1,3-dibehenate
Property Insights of Glyceryl 1,3-dibehenate
The XLogP value of 15.0775 indicates that Glyceryl 1,3-dibehenate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Glyceryl 1,3-dibehenate. Following Lipinski's Rule of Five, Glyceryl 1,3-dibehenate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Glyceryl 1,3-dibehenate?
The CAS number of Glyceryl 1,3-dibehenate is 99880-64-5.
What is the molecular formula of Glyceryl 1,3-dibehenate?
The molecular formula of Glyceryl 1,3-dibehenate is C47H92O5.
What is the molecular weight of Glyceryl 1,3-dibehenate?
The molecular weight of Glyceryl 1,3-dibehenate is 736.69 g/mol.
Where can I buy Glyceryl 1,3-dibehenate?
You can request a quote for Glyceryl 1,3-dibehenate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glyceryl 1,3-dibehenate?
Yes, KEHONG BIO provides custom synthesis services for Glyceryl 1,3-dibehenate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.