Triethylhexyl Citrate
TL;DR: Triethylhexyl Citrate (CAS 7147-34-4) is a chemical compound with molecular formula C30H56O7 and molecular weight 528.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(2-ethylhexyl) 2-hydroxypropane-1,2,3-tricarboxylate
Also Known As: triethylhexyl citrate, NIKKOL STO, tris(2-ethylhexyl) citrate, BERNEL ESTER TOC, TRIS CITRATE
| Molecular Formula | C30H56O7 |
|---|---|
| Molecular Weight | 528.40 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 26 |
| Exact Mass | 528.4026 |
| Heavy Atoms | 37 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 7147-34-4 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)CC(CC(=O)OCC(CC)CCCC)(C(=O)OCC(CC)CCCC)O |
| InChIKey | DUHIKWRPAQIIBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triethylhexyl Citrate (CAS 7147-34-4), with molecular formula C30H56O7 and molecular weight 528.40 g/mol. IUPAC: tris(2-ethylhexyl) 2-hydroxypropane-1,2,3-tricarboxylate.
Chemical Property Profile of Triethylhexyl Citrate
Property Insights of Triethylhexyl Citrate
The XLogP value of 8.4 indicates that Triethylhexyl 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 Triethylhexyl Citrate. Following Lipinski's Rule of Five, Triethylhexyl Citrate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Triethylhexyl Citrate?
The CAS number of Triethylhexyl Citrate is 7147-34-4.
What is the molecular formula of Triethylhexyl Citrate?
The molecular formula of Triethylhexyl Citrate is C30H56O7.
What is the molecular weight of Triethylhexyl Citrate?
The molecular weight of Triethylhexyl Citrate is 528.40 g/mol.
Where can I buy Triethylhexyl Citrate?
You can request a quote for Triethylhexyl Citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethylhexyl Citrate?
Yes, KEHONG BIO provides custom synthesis services for Triethylhexyl Citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.