Cyclohexane-1,2,3,4,5,6-hexayl hexanitrate
TL;DR: Cyclohexane-1,2,3,4,5,6-hexayl hexanitrate (CAS 7332-16-3) is a chemical compound with molecular formula C6H6N6O18 and molecular weight 449.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentanitrooxycyclohexyl) nitrate
Also Known As: Tolanate, Myo-inositol hexanitrate, INOSITOL HEXANITRATE, Scyllitol nitrate, Inositol, hexanitrate
| Molecular Formula | C6H6N6O18 |
|---|---|
| Molecular Weight | 449.97 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 330.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.97385 |
| Heavy Atoms | 30 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 7332-16-3 |
|---|---|
| SMILES | C1(C(C(C(C(C1O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-] |
| InChIKey | VAASRZPDHFMMMC-UHFFFAOYSA-N |
Product Overview
Cyclohexane-1,2,3,4,5,6-hexayl hexanitrate (CAS 7332-16-3), with molecular formula C6H6N6O18 and molecular weight 449.97 g/mol. IUPAC: (2,3,4,5,6-pentanitrooxycyclohexyl) nitrate.
Chemical Property Profile of Cyclohexane-1,2,3,4,5,6-hexayl hexanitrate
Property Insights of Cyclohexane-1,2,3,4,5,6-hexayl hexanitrate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexane-1,2,3,4,5,6-hexayl hexanitrate. The TPSA of 330.0 Ų indicates high polarity, suggesting Cyclohexane-1,2,3,4,5,6-hexayl hexanitrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclohexane-1,2,3,4,5,6-hexayl hexanitrate has 0 hydrogen bond donor(s) and 18 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 hexanitrate?
The CAS number of Cyclohexane-1,2,3,4,5,6-hexayl hexanitrate is 7332-16-3.
What is the molecular formula of Cyclohexane-1,2,3,4,5,6-hexayl hexanitrate?
The molecular formula of Cyclohexane-1,2,3,4,5,6-hexayl hexanitrate is C6H6N6O18.
What is the molecular weight of Cyclohexane-1,2,3,4,5,6-hexayl hexanitrate?
The molecular weight of Cyclohexane-1,2,3,4,5,6-hexayl hexanitrate is 449.97 g/mol.
Where can I buy Cyclohexane-1,2,3,4,5,6-hexayl hexanitrate?
You can request a quote for Cyclohexane-1,2,3,4,5,6-hexayl hexanitrate 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 hexanitrate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexane-1,2,3,4,5,6-hexayl hexanitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.