一缩二季戊四醇六硝酸酯
TL;DR: 一缩二季戊四醇六硝酸酯 (CAS 13184-80-0) is a chemical compound with molecular formula C10H16N6O19 and molecular weight 524.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
一缩二季戊四醇六硝酸酯
[3-nitrooxy-2-[[3-nitrooxy-2,2-bis(nitrooxymethyl)propoxy]methyl]-2-(nitrooxymethyl)propyl] nitrate
Also Known As: Dipentaerythritol hexanitrate, Dipentaerythritol, hexanitrate, Ex103, [3-nitrooxy-2-[[3-nitrooxy-2,2-bis(nitrooxymethyl)propoxy]methyl]-2-(nitrooxymethyl)propyl] nitrate, 2,2'-(Oxybis(methylene))bis(2-((nitrooxy)methyl)propane-1,3-diyl) tetranitrate
| Molecular Formula | C10H16N6O19 |
|---|---|
| Molecular Weight | 524.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 340.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 16 |
| Exact Mass | 524.047 |
| Heavy Atoms | 35 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 13184-80-0 |
|---|---|
| SMILES | C(C(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 | BGXZDPSXQZVBGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
一缩二季戊四醇六硝酸酯 (CAS 13184-80-0), with molecular formula C10H16N6O19 and molecular weight 524.05 g/mol. IUPAC: [3-nitrooxy-2-[[3-nitrooxy-2,2-bis(nitrooxymethyl)propoxy]methyl]-2-(nitrooxymethyl)propyl] nitrate.
Chemical Property Profile of 一缩二季戊四醇六硝酸酯
Property Insights of 一缩二季戊四醇六硝酸酯
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 一缩二季戊四醇六硝酸酯. The TPSA of 340.0 Ų indicates high polarity, suggesting 一缩二季戊四醇六硝酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 一缩二季戊四醇六硝酸酯 has 0 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 一缩二季戊四醇六硝酸酯?
The CAS number of 一缩二季戊四醇六硝酸酯 is 13184-80-0.
What is the molecular formula of 一缩二季戊四醇六硝酸酯?
The molecular formula of 一缩二季戊四醇六硝酸酯 is C10H16N6O19.
What is the molecular weight of 一缩二季戊四醇六硝酸酯?
The molecular weight of 一缩二季戊四醇六硝酸酯 is 524.05 g/mol.
Where can I buy 一缩二季戊四醇六硝酸酯?
You can request a quote for 一缩二季戊四醇六硝酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 一缩二季戊四醇六硝酸酯?
Yes, KEHONG BIO provides custom synthesis services for 一缩二季戊四醇六硝酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.