Hexakis(trifluoroacetyl)inositol
TL;DR: Hexakis(trifluoroacetyl)inositol (CAS 18686-38-9) is a chemical compound with molecular formula C18H6F18O12 and molecular weight 755.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4,5,6-trihydroxy-1,2,3-tris(2,2,2-trifluoroacetyl)-2,3-bis[(2,2,2-trifluoroacetyl)oxy]cyclohexyl] 2,2,2-trifluoroacetate
Also Known As: Hexakis-tfa-inositol, Hexakis(trifluoroacetyl)inositol, Hexakis(trifluoroacetyl)myo-inositol, myo-Inositol, hexakis(trifluoroacetate), [4,5,6-trihydroxy-1,2,3-tris(2,2,2-trifluoroacetyl)-2,3-bis[(2,2,2-trifluoroacetyl)oxy]cyclohexyl] 2,2,2-trifluoroacetate
| Molecular Formula | C18H6F18O12 |
|---|---|
| Molecular Weight | 755.96 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 30 |
| Rotatable Bonds | 9 |
| Exact Mass | 755.95715 |
| Heavy Atoms | 48 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 18686-38-9 |
|---|---|
| SMILES | C1(C(C(C(C(C1O)(C(=O)C(F)(F)F)OC(=O)C(F)(F)F)(C(=O)C(F)(F)F)OC(=O)C(F)(F)F)(C(=O)C(F)(F)F)OC(=O)C(F)(F)F)O)O |
| InChIKey | GJVBHVSAKGDNHE-UHFFFAOYSA-N |
Product Overview
Hexakis(trifluoroacetyl)inositol (CAS 18686-38-9), with molecular formula C18H6F18O12 and molecular weight 755.96 g/mol. IUPAC: [4,5,6-trihydroxy-1,2,3-tris(2,2,2-trifluoroacetyl)-2,3-bis[(2,2,2-trifluoroacetyl)oxy]cyclohexyl] 2,2,2-trifluoroacetate.
Chemical Property Profile of Hexakis(trifluoroacetyl)inositol
Property Insights of Hexakis(trifluoroacetyl)inositol
The XLogP value of 4.4 indicates that Hexakis(trifluoroacetyl)inositol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 191.0 Ų indicates high polarity, suggesting Hexakis(trifluoroacetyl)inositol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexakis(trifluoroacetyl)inositol has 3 hydrogen bond donor(s) and 30 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexakis(trifluoroacetyl)inositol?
The CAS number of Hexakis(trifluoroacetyl)inositol is 18686-38-9.
What is the molecular formula of Hexakis(trifluoroacetyl)inositol?
The molecular formula of Hexakis(trifluoroacetyl)inositol is C18H6F18O12.
What is the molecular weight of Hexakis(trifluoroacetyl)inositol?
The molecular weight of Hexakis(trifluoroacetyl)inositol is 755.96 g/mol.
Where can I buy Hexakis(trifluoroacetyl)inositol?
You can request a quote for Hexakis(trifluoroacetyl)inositol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexakis(trifluoroacetyl)inositol?
Yes, KEHONG BIO provides custom synthesis services for Hexakis(trifluoroacetyl)inositol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.