Triethylene glycol dibenzoate
TL;DR: Triethylene glycol dibenzoate (CAS 120-56-9) is a chemical compound with molecular formula C20H22O6 and molecular weight 358.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-benzoyloxyethoxy)ethoxy]ethyl benzoate
Also Known As: Triethylene glycol dibenzoate, Benzoflex T 150, Ethylenebis(oxyethylene) dibenzoate, Triethylene glycol, dibenzoate, 3,8-diyl dibenzoate
| Molecular Formula | C20H22O6 |
|---|---|
| Molecular Weight | 358.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 358.14163 |
| Heavy Atoms | 26 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 120-56-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCOCCOCCOC(=O)C2=CC=CC=C2 |
| InChIKey | AHSGHEXYEABOKT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triethylene glycol dibenzoate (CAS 120-56-9), with molecular formula C20H22O6 and molecular weight 358.14 g/mol. IUPAC: 2-[2-(2-benzoyloxyethoxy)ethoxy]ethyl benzoate.
Chemical Property Profile of Triethylene glycol dibenzoate
Property Insights of Triethylene glycol dibenzoate
The XLogP value of 3.3 indicates that Triethylene glycol dibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Triethylene glycol dibenzoate. Following Lipinski's Rule of Five, Triethylene glycol dibenzoate 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 Triethylene glycol dibenzoate?
The CAS number of Triethylene glycol dibenzoate is 120-56-9.
What is the molecular formula of Triethylene glycol dibenzoate?
The molecular formula of Triethylene glycol dibenzoate is C20H22O6.
What is the molecular weight of Triethylene glycol dibenzoate?
The molecular weight of Triethylene glycol dibenzoate is 358.14 g/mol.
Where can I buy Triethylene glycol dibenzoate?
You can request a quote for Triethylene glycol dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethylene glycol dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for Triethylene glycol dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.