Glyceryl dibenzoate
TL;DR: Glyceryl dibenzoate (CAS 40593-13-3) is a chemical compound with molecular formula C17H16O5 and molecular weight 300.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzoyloxy-2-hydroxypropyl) benzoate
Also Known As: Glyceryl dibenzoate, 1,3-Di-O-benzoyl-D-glycerol, 2-Hydroxypropane-1,3-diyl dibenzoate, Compound NP-012180, 1,2,3-Propanetriol, 1,3-dibenzoate
| Molecular Formula | C17H16O5 |
|---|---|
| Molecular Weight | 300.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 300.09976 |
| Heavy Atoms | 22 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 40593-13-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)O |
| InChIKey | ITRIWXSLDIKBHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Glyceryl dibenzoate (CAS 40593-13-3), with molecular formula C17H16O5 and molecular weight 300.10 g/mol. IUPAC: (3-benzoyloxy-2-hydroxypropyl) benzoate.
Chemical Property Profile of Glyceryl dibenzoate
Property Insights of Glyceryl dibenzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glyceryl dibenzoate. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Glyceryl dibenzoate. Following Lipinski's Rule of Five, Glyceryl dibenzoate has 1 hydrogen bond donor(s) and 5 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 dibenzoate?
The CAS number of Glyceryl dibenzoate is 40593-13-3.
What is the molecular formula of Glyceryl dibenzoate?
The molecular formula of Glyceryl dibenzoate is C17H16O5.
What is the molecular weight of Glyceryl dibenzoate?
The molecular weight of Glyceryl dibenzoate is 300.10 g/mol.
Where can I buy Glyceryl dibenzoate?
You can request a quote for Glyceryl dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glyceryl dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for Glyceryl dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.