Triisocetyl Citrate
TL;DR: Triisocetyl Citrate (CAS 93385-14-9) 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.
tris(14-methylpentadecyl) 2-hydroxypropane-1,2,3-tricarboxylate
Also Known As: Triisocetyl citrate, Jeechem TISC, Citmol 316, Triisohexadecyl citrate, TRIISOCETYLCITRATE
| Molecular Formula | C54H104O7 |
|---|---|
| Molecular Weight | 864.78 g/mol |
| LogP | 16.1389 |
| Topological Polar Surface Area | 99.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 47 |
| Exact Mass | 864.7782 |
| Heavy Atoms | 61 |
| Complexity | 926.4447 |
Chemical Identifiers
| CAS Number | 93385-14-9 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCCCCCCCC(C)C)(C(=O)OCCCCCCCCCCCCCC(C)C)O |
Product Overview
Triisocetyl Citrate (CAS 93385-14-9), with molecular formula C54H104O7 and molecular weight 864.78 g/mol. IUPAC: tris(14-methylpentadecyl) 2-hydroxypropane-1,2,3-tricarboxylate.
Chemical Property Profile of Triisocetyl Citrate
Property Insights of Triisocetyl Citrate
The XLogP value of 16.1389 indicates that Triisocetyl 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 Triisocetyl Citrate. Following Lipinski's Rule of Five, Triisocetyl 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 Triisocetyl Citrate?
The CAS number of Triisocetyl Citrate is 93385-14-9.
What is the molecular formula of Triisocetyl Citrate?
The molecular formula of Triisocetyl Citrate is C54H104O7.
What is the molecular weight of Triisocetyl Citrate?
The molecular weight of Triisocetyl Citrate is 864.78 g/mol.
Where can I buy Triisocetyl Citrate?
You can request a quote for Triisocetyl Citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triisocetyl Citrate?
Yes, KEHONG BIO provides custom synthesis services for Triisocetyl Citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.