Tripentaerythritol octanitrate
TL;DR: Tripentaerythritol octanitrate (CAS 29908-97-2) is a chemical compound with molecular formula C15H24N8O26 and molecular weight 732.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2-bis(nitrooxymethyl)-3-[3-nitrooxy-2-[[3-nitrooxy-2,2-bis(nitrooxymethyl)propoxy]methyl]-2-(nitrooxymethyl)propoxy]propyl] nitrate
Also Known As: Tripentaerythritol octanitrate, Ex259, [2,2-bis(nitrooxymethyl)-3-[3-nitrooxy-2-[[3-nitrooxy-2,2-bis(nitrooxymethyl)propoxy]methyl]-2-(nitrooxymethyl)propoxy]propyl] nitrate, 1,3-propanediol, 2,2-bis[[3-(nitrooxy)-2,2-bis[(nitrooxy)methyl]propoxy]methyl]-, dinitrate(ester), 1,3-Propanediol, 2,2-bis((3-(nitrooxy)-2,2-bis((nitrooxy)methyl)propoxy)methyl)-, 1,1',3,3'-tetranitrate
| Molecular Formula | C15H24N8O26 |
|---|---|
| Molecular Weight | 732.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 459.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 24 |
| Exact Mass | 732.0802 |
| Heavy Atoms | 49 |
| Complexity | 946.0 |
Chemical Identifiers
| CAS Number | 29908-97-2 |
|---|---|
| SMILES | C(C(COCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-] |
| InChIKey | GYWXVZWHRSNPPQ-UHFFFAOYSA-N |
Product Overview
Tripentaerythritol octanitrate (CAS 29908-97-2), with molecular formula C15H24N8O26 and molecular weight 732.08 g/mol. IUPAC: [2,2-bis(nitrooxymethyl)-3-[3-nitrooxy-2-[[3-nitrooxy-2,2-bis(nitrooxymethyl)propoxy]methyl]-2-(nitrooxymethyl)propoxy]propyl] nitrate.
Chemical Property Profile of Tripentaerythritol octanitrate
Property Insights of Tripentaerythritol octanitrate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tripentaerythritol octanitrate. The TPSA of 459.0 Ų indicates high polarity, suggesting Tripentaerythritol octanitrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tripentaerythritol octanitrate has 0 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tripentaerythritol octanitrate?
The CAS number of Tripentaerythritol octanitrate is 29908-97-2.
What is the molecular formula of Tripentaerythritol octanitrate?
The molecular formula of Tripentaerythritol octanitrate is C15H24N8O26.
What is the molecular weight of Tripentaerythritol octanitrate?
The molecular weight of Tripentaerythritol octanitrate is 732.08 g/mol.
Where can I buy Tripentaerythritol octanitrate?
You can request a quote for Tripentaerythritol octanitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tripentaerythritol octanitrate?
Yes, KEHONG BIO provides custom synthesis services for Tripentaerythritol octanitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.