Cyclohexane-1,2,3,4,5,6-hexayl hexakis(dichloroacetate)
TL;DR: Cyclohexane-1,2,3,4,5,6-hexayl hexakis(dichloroacetate) (CAS 31648-06-3) is a chemical compound with molecular formula C18H12Cl12O12 and molecular weight 839.66 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,3,4,5,6-pentakis[(2,2-dichloroacetyl)oxy]cyclohexyl] 2,2-dichloroacetate
Also Known As: Inosit-hexakis-dichloracetat, cyclohexane-1,2,3,4,5,6-hexayl hexakis(dichloroacetate), myo-Inositol,hexakis(dichloroacetate) (9CI), [2,3,4,5,6-pentakis[(2,2-dichloroacetyl)oxy]cyclohexyl] 2,2-dichloroacetate, [2,3,4,5,6-pentakis[(2,2-dichloroacetyl)oxy]cyclohexyl] 2,2-
| Molecular Formula | C18H12Cl12O12 |
|---|---|
| Molecular Weight | 839.66 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 18 |
| Exact Mass | 839.6591 |
| Heavy Atoms | 42 |
| Complexity | 796.0 |
Chemical Identifiers
| CAS Number | 31648-06-3 |
|---|---|
| SMILES | C1(C(C(C(C(C1OC(=O)C(Cl)Cl)OC(=O)C(Cl)Cl)OC(=O)C(Cl)Cl)OC(=O)C(Cl)Cl)OC(=O)C(Cl)Cl)OC(=O)C(Cl)Cl |
| InChIKey | TVNVHRYZXKXEPR-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 hexakis(dichloroacetate) (CAS 31648-06-3), with molecular formula C18H12Cl12O12 and molecular weight 839.66 g/mol. IUPAC: [2,3,4,5,6-pentakis[(2,2-dichloroacetyl)oxy]cyclohexyl] 2,2-dichloroacetate.
Chemical Property Profile of Cyclohexane-1,2,3,4,5,6-hexayl hexakis(dichloroacetate)
Property Insights of Cyclohexane-1,2,3,4,5,6-hexayl hexakis(dichloroacetate)
The XLogP value of 7.8 indicates that Cyclohexane-1,2,3,4,5,6-hexayl hexakis(dichloroacetate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting Cyclohexane-1,2,3,4,5,6-hexayl hexakis(dichloroacetate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclohexane-1,2,3,4,5,6-hexayl hexakis(dichloroacetate) 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 hexakis(dichloroacetate)?
The CAS number of Cyclohexane-1,2,3,4,5,6-hexayl hexakis(dichloroacetate) is 31648-06-3.
What is the molecular formula of Cyclohexane-1,2,3,4,5,6-hexayl hexakis(dichloroacetate)?
The molecular formula of Cyclohexane-1,2,3,4,5,6-hexayl hexakis(dichloroacetate) is C18H12Cl12O12.
What is the molecular weight of Cyclohexane-1,2,3,4,5,6-hexayl hexakis(dichloroacetate)?
The molecular weight of Cyclohexane-1,2,3,4,5,6-hexayl hexakis(dichloroacetate) is 839.66 g/mol.
Where can I buy Cyclohexane-1,2,3,4,5,6-hexayl hexakis(dichloroacetate)?
You can request a quote for Cyclohexane-1,2,3,4,5,6-hexayl hexakis(dichloroacetate) 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 hexakis(dichloroacetate)?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexane-1,2,3,4,5,6-hexayl hexakis(dichloroacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.