Trihexyl acetylcitrate
TL;DR: Trihexyl acetylcitrate (CAS 24817-92-3) is a chemical compound with molecular formula C26H46O8 and molecular weight 486.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trihexyl 2-acetyloxypropane-1,2,3-tricarboxylate
Also Known As: Trihexyl O-acetylcitrate, Acetyl trihexyl citrate, trihexyl acetylcitrate, Citroflex A6, acetyltrihexylcitrate
| Molecular Formula | C26H46O8 |
|---|---|
| Molecular Weight | 486.32 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 25 |
| Exact Mass | 486.31927 |
| Heavy Atoms | 34 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 24817-92-3 |
|---|---|
| SMILES | CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(C(=O)OCCCCCC)OC(=O)C |
| InChIKey | TUUQISRYLMFKOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trihexyl acetylcitrate (CAS 24817-92-3), with molecular formula C26H46O8 and molecular weight 486.32 g/mol. IUPAC: trihexyl 2-acetyloxypropane-1,2,3-tricarboxylate.
Chemical Property Profile of Trihexyl acetylcitrate
Property Insights of Trihexyl acetylcitrate
The XLogP value of 6.5 indicates that Trihexyl acetylcitrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Trihexyl acetylcitrate. Following Lipinski's Rule of Five, Trihexyl acetylcitrate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trihexyl acetylcitrate?
The CAS number of Trihexyl acetylcitrate is 24817-92-3.
What is the molecular formula of Trihexyl acetylcitrate?
The molecular formula of Trihexyl acetylcitrate is C26H46O8.
What is the molecular weight of Trihexyl acetylcitrate?
The molecular weight of Trihexyl acetylcitrate is 486.32 g/mol.
Where can I buy Trihexyl acetylcitrate?
You can request a quote for Trihexyl acetylcitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trihexyl acetylcitrate?
Yes, KEHONG BIO provides custom synthesis services for Trihexyl acetylcitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.