Tribenzyl citrate
TL;DR: Tribenzyl citrate (CAS 6976-96-1) is a chemical compound with molecular formula C27H26O7 and molecular weight 462.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tribenzyl 2-hydroxypropane-1,2,3-tricarboxylate
Also Known As: tribenzyl citrate, tris(phenylmethyl) ester, Citric acid tribenzyl ester, tribenzyl 2-hydroxypropane-1,2,3-tricarboxylate, CITRIC ACID, TRIBENZYL ESTER
| Molecular Formula | C27H26O7 |
|---|---|
| Molecular Weight | 462.17 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 462.16785 |
| Heavy Atoms | 34 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 6976-96-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CC(CC(=O)OCC2=CC=CC=C2)(C(=O)OCC3=CC=CC=C3)O |
| InChIKey | VYLZSGQQVHTICN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tribenzyl citrate (CAS 6976-96-1), with molecular formula C27H26O7 and molecular weight 462.17 g/mol. IUPAC: tribenzyl 2-hydroxypropane-1,2,3-tricarboxylate.
Chemical Property Profile of Tribenzyl citrate
Property Insights of Tribenzyl citrate
The XLogP value of 3.4 indicates that Tribenzyl citrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Tribenzyl citrate. Following Lipinski's Rule of Five, Tribenzyl citrate has 1 hydrogen bond donor(s) and 7 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 Tribenzyl citrate?
The CAS number of Tribenzyl citrate is 6976-96-1.
What is the molecular formula of Tribenzyl citrate?
The molecular formula of Tribenzyl citrate is C27H26O7.
What is the molecular weight of Tribenzyl citrate?
The molecular weight of Tribenzyl citrate is 462.17 g/mol.
Where can I buy Tribenzyl citrate?
You can request a quote for Tribenzyl citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tribenzyl citrate?
Yes, KEHONG BIO provides custom synthesis services for Tribenzyl citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.