Diglycerol tetranitrate
TL;DR: Diglycerol tetranitrate (CAS 20600-96-8) is a chemical compound with molecular formula C6H10N4O13 and molecular weight 346.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(2,3-dinitrooxypropoxy)-3-nitrooxypropan-2-yl] nitrate
Also Known As: Diglycerol tetranitrate, Tetranitro diglycerin, 2,3-dinitroxypropyl ether, Tetranitro diglycerin [Forbidden], Oxydi(propane-3,1,2-triyl) tetranitrate
| Molecular Formula | C6H10N4O13 |
|---|---|
| Molecular Weight | 346.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 229.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 346.02444 |
| Heavy Atoms | 23 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 20600-96-8 |
|---|---|
| SMILES | C(C(CO[N+](=O)[O-])O[N+](=O)[O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-] |
| InChIKey | SKKBQEZMHMDRLE-UHFFFAOYSA-N |
Product Overview
Diglycerol tetranitrate (CAS 20600-96-8), with molecular formula C6H10N4O13 and molecular weight 346.02 g/mol. IUPAC: [1-(2,3-dinitrooxypropoxy)-3-nitrooxypropan-2-yl] nitrate.
Chemical Property Profile of Diglycerol tetranitrate
Property Insights of Diglycerol tetranitrate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diglycerol tetranitrate. The TPSA of 229.0 Ų indicates high polarity, suggesting Diglycerol tetranitrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diglycerol tetranitrate has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diglycerol tetranitrate?
The CAS number of Diglycerol tetranitrate is 20600-96-8.
What is the molecular formula of Diglycerol tetranitrate?
The molecular formula of Diglycerol tetranitrate is C6H10N4O13.
What is the molecular weight of Diglycerol tetranitrate?
The molecular weight of Diglycerol tetranitrate is 346.02 g/mol.
Where can I buy Diglycerol tetranitrate?
You can request a quote for Diglycerol tetranitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diglycerol tetranitrate?
Yes, KEHONG BIO provides custom synthesis services for Diglycerol tetranitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.