Glyceryl tribenzoate
TL;DR: Glyceryl tribenzoate (CAS 614-33-5) is a chemical compound with molecular formula C24H20O6 and molecular weight 404.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dibenzoyloxypropyl benzoate
Also Known As: Glyceryl tribenzoate, Tribenzoin, Glycerol tribenzoate, Glycerol, tribenzoate, Uniplex 260
| Molecular Formula | C24H20O6 |
|---|---|
| Molecular Weight | 404.13 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 404.12598 |
| Heavy Atoms | 30 |
| Complexity | 522.0 |
| Melting Point | 76 °C |
| Solubility | very slightly |
Chemical Identifiers
| CAS Number | 614-33-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3 |
| InChIKey | HIZCTWCPHWUPFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Glyceryl tribenzoate (CAS 614-33-5), with molecular formula C24H20O6 and molecular weight 404.13 g/mol. IUPAC: 2,3-dibenzoyloxypropyl benzoate.
Chemical Property Profile of Glyceryl tribenzoate
Property Insights of Glyceryl tribenzoate
The XLogP value of 4.9 indicates that Glyceryl tribenzoate 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 Glyceryl tribenzoate. Following Lipinski's Rule of Five, Glyceryl tribenzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Glyceryl tribenzoate?
The CAS number of Glyceryl tribenzoate is 614-33-5.
What is the molecular formula of Glyceryl tribenzoate?
The molecular formula of Glyceryl tribenzoate is C24H20O6.
What is the molecular weight of Glyceryl tribenzoate?
The molecular weight of Glyceryl tribenzoate is 404.13 g/mol.
Where can I buy Glyceryl tribenzoate?
You can request a quote for Glyceryl tribenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glyceryl tribenzoate?
Yes, KEHONG BIO provides custom synthesis services for Glyceryl tribenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.