2,4,6,8-Tetranitro-2,4,6,8-tetraazanonane-1,9-diyl diacetate
TL;DR: 2,4,6,8-Tetranitro-2,4,6,8-tetraazanonane-1,9-diyl diacetate (CAS 6537-83-3) is a chemical compound with molecular formula C9H16N8O12 and molecular weight 428.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[[[acetyloxymethyl(nitro)amino]methyl-nitroamino]methyl-nitroamino]methyl-nitroamino]methyl acetate
Also Known As: 2,4,6,8-Tetranitro-2,4,6,8-tetraazanonane-1,9-diyl diacetate, 1,9-diacetoxy-2,4,6,8-tetranitro-2,4,6,8-tetraazanonane, [[[[acetyloxymethyl(nitro)amino]methyl-nitroamino]methyl-nit, 2,4,6,8-tetranitro-11-oxo-10-oxa-2,4,6,8-tetraazadodec-1-ylacetate, 2,4,6,8-tetranitro-2,4,6,8-tetraazanonane-1,9-diyldiacetate
| Molecular Formula | C9H16N8O12 |
|---|---|
| Molecular Weight | 428.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 249.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 12 |
| Exact Mass | 428.08878 |
| Heavy Atoms | 29 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 6537-83-3 |
|---|---|
| SMILES | CC(=O)OCN(CN(CN(CN(COC(=O)C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | LDBSGTRAQJIAIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6,8-Tetranitro-2,4,6,8-tetraazanonane-1,9-diyl diacetate (CAS 6537-83-3), with molecular formula C9H16N8O12 and molecular weight 428.09 g/mol. IUPAC: [[[[acetyloxymethyl(nitro)amino]methyl-nitroamino]methyl-nitroamino]methyl-nitroamino]methyl acetate.
Chemical Property Profile of 2,4,6,8-Tetranitro-2,4,6,8-tetraazanonane-1,9-diyl diacetate
Property Insights of 2,4,6,8-Tetranitro-2,4,6,8-tetraazanonane-1,9-diyl diacetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6,8-Tetranitro-2,4,6,8-tetraazanonane-1,9-diyl diacetate. The TPSA of 249.0 Ų indicates high polarity, suggesting 2,4,6,8-Tetranitro-2,4,6,8-tetraazanonane-1,9-diyl diacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6,8-Tetranitro-2,4,6,8-tetraazanonane-1,9-diyl diacetate has 0 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,6,8-Tetranitro-2,4,6,8-tetraazanonane-1,9-diyl diacetate?
The CAS number of 2,4,6,8-Tetranitro-2,4,6,8-tetraazanonane-1,9-diyl diacetate is 6537-83-3.
What is the molecular formula of 2,4,6,8-Tetranitro-2,4,6,8-tetraazanonane-1,9-diyl diacetate?
The molecular formula of 2,4,6,8-Tetranitro-2,4,6,8-tetraazanonane-1,9-diyl diacetate is C9H16N8O12.
What is the molecular weight of 2,4,6,8-Tetranitro-2,4,6,8-tetraazanonane-1,9-diyl diacetate?
The molecular weight of 2,4,6,8-Tetranitro-2,4,6,8-tetraazanonane-1,9-diyl diacetate is 428.09 g/mol.
Where can I buy 2,4,6,8-Tetranitro-2,4,6,8-tetraazanonane-1,9-diyl diacetate?
You can request a quote for 2,4,6,8-Tetranitro-2,4,6,8-tetraazanonane-1,9-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6,8-Tetranitro-2,4,6,8-tetraazanonane-1,9-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6,8-Tetranitro-2,4,6,8-tetraazanonane-1,9-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.