Cyclohexane-1,2,3,4,5,6-hexayl hexaacetate
TL;DR: Cyclohexane-1,2,3,4,5,6-hexayl hexaacetate (CAS 29307-62-8) is a chemical compound with molecular formula C18H24O12 and molecular weight 432.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentaacetyloxycyclohexyl) acetate
Also Known As: myo-Inositol Hexaacetate, Myo-inositol, hexaacetate, 1-Hoami, Myoinositol hexaacetate, inositol hexaacetate
| Molecular Formula | C18H24O12 |
|---|---|
| Molecular Weight | 432.13 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 432.12677 |
| Heavy Atoms | 30 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 29307-62-8 |
|---|---|
| SMILES | CC(=O)OC1C(C(C(C(C1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | SQUHHTBVTRBESD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexane-1,2,3,4,5,6-hexayl hexaacetate (CAS 29307-62-8), with molecular formula C18H24O12 and molecular weight 432.13 g/mol. IUPAC: (2,3,4,5,6-pentaacetyloxycyclohexyl) acetate.
Chemical Property Profile of Cyclohexane-1,2,3,4,5,6-hexayl hexaacetate
Property Insights of Cyclohexane-1,2,3,4,5,6-hexayl hexaacetate
The XLogP value of -0.3 indicates that Cyclohexane-1,2,3,4,5,6-hexayl hexaacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.0 Ų indicates high polarity, suggesting Cyclohexane-1,2,3,4,5,6-hexayl hexaacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclohexane-1,2,3,4,5,6-hexayl hexaacetate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclohexane-1,2,3,4,5,6-hexayl hexaacetate?
The CAS number of Cyclohexane-1,2,3,4,5,6-hexayl hexaacetate is 29307-62-8.
What is the molecular formula of Cyclohexane-1,2,3,4,5,6-hexayl hexaacetate?
The molecular formula of Cyclohexane-1,2,3,4,5,6-hexayl hexaacetate is C18H24O12.
What is the molecular weight of Cyclohexane-1,2,3,4,5,6-hexayl hexaacetate?
The molecular weight of Cyclohexane-1,2,3,4,5,6-hexayl hexaacetate is 432.13 g/mol.
Where can I buy Cyclohexane-1,2,3,4,5,6-hexayl hexaacetate?
You can request a quote for Cyclohexane-1,2,3,4,5,6-hexayl hexaacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexane-1,2,3,4,5,6-hexayl hexaacetate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexane-1,2,3,4,5,6-hexayl hexaacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.