Trihexadecyl citrate
TL;DR: Trihexadecyl citrate (CAS 4560-68-3) is a chemical compound with molecular formula C54H104O7 and molecular weight 864.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trihexadecyl 2-hydroxypropane-1,2,3-tricarboxylate
Also Known As: Trihexadecyl citrate, tricetyl citrate, trihexadecylcitrate, Triisocetyl citrate, Citronensaeure-tricetylester
| Molecular Formula | C54H104O7 |
|---|---|
| Molecular Weight | 864.78 g/mol |
| LogP | 16.5712 |
| Topological Polar Surface Area | 99.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 50 |
| Exact Mass | 864.7782 |
| Heavy Atoms | 61 |
| Complexity | 888.35864 |
Chemical Identifiers
| CAS Number | 4560-68-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCCCCCCCCCC)(C(=O)OCCCCCCCCCCCCCCCC)O |
Product Overview
Trihexadecyl citrate (CAS 4560-68-3), with molecular formula C54H104O7 and molecular weight 864.78 g/mol. IUPAC: trihexadecyl 2-hydroxypropane-1,2,3-tricarboxylate.
Chemical Property Profile of Trihexadecyl citrate
Property Insights of Trihexadecyl citrate
The XLogP value of 16.5712 indicates that Trihexadecyl citrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Trihexadecyl citrate. Following Lipinski's Rule of Five, Trihexadecyl 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 Trihexadecyl citrate?
The CAS number of Trihexadecyl citrate is 4560-68-3.
What is the molecular formula of Trihexadecyl citrate?
The molecular formula of Trihexadecyl citrate is C54H104O7.
What is the molecular weight of Trihexadecyl citrate?
The molecular weight of Trihexadecyl citrate is 864.78 g/mol.
Where can I buy Trihexadecyl citrate?
You can request a quote for Trihexadecyl citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trihexadecyl citrate?
Yes, KEHONG BIO provides custom synthesis services for Trihexadecyl citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.