8-Oxa-2,4,6-triazadecan-1-ol, 2,4,6-trinitro-9-oxo-, 1-acetate
TL;DR: 8-Oxa-2,4,6-triazadecan-1-ol, 2,4,6-trinitro-9-oxo-, 1-acetate (CAS 14173-62-7) is a chemical compound with molecular formula C8H14N6O10 and molecular weight 354.08 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 acetate
Also Known As: Methanol, diacetate (ester), 4-02-00-00281 (Beilstein Handbook Reference), 1,7-diacetoxy-2,4,6-trinitro-2,4,6-triazaheptane, ((Nitroimino)bis(methylene(nitroimino)))dimethanol diacetate (ester), BSX
| Molecular Formula | C8H14N6O10 |
|---|---|
| Molecular Weight | 354.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 354.07715 |
| Heavy Atoms | 24 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 14173-62-7 |
|---|---|
| SMILES | CC(=O)OCN(CN(CN(COC(=O)C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CHBKPOAEXQUKHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-Oxa-2,4,6-triazadecan-1-ol, 2,4,6-trinitro-9-oxo-, 1-acetate (CAS 14173-62-7), with molecular formula C8H14N6O10 and molecular weight 354.08 g/mol. IUPAC: [[[acetyloxymethyl(nitro)amino]methyl-nitroamino]methyl-nitroamino]methyl acetate.
Chemical Property Profile of 8-Oxa-2,4,6-triazadecan-1-ol, 2,4,6-trinitro-9-oxo-, 1-acetate
Property Insights of 8-Oxa-2,4,6-triazadecan-1-ol, 2,4,6-trinitro-9-oxo-, 1-acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Oxa-2,4,6-triazadecan-1-ol, 2,4,6-trinitro-9-oxo-, 1-acetate. The TPSA of 200.0 Ų indicates high polarity, suggesting 8-Oxa-2,4,6-triazadecan-1-ol, 2,4,6-trinitro-9-oxo-, 1-acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-Oxa-2,4,6-triazadecan-1-ol, 2,4,6-trinitro-9-oxo-, 1-acetate 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 8-Oxa-2,4,6-triazadecan-1-ol, 2,4,6-trinitro-9-oxo-, 1-acetate?
The CAS number of 8-Oxa-2,4,6-triazadecan-1-ol, 2,4,6-trinitro-9-oxo-, 1-acetate is 14173-62-7.
What is the molecular formula of 8-Oxa-2,4,6-triazadecan-1-ol, 2,4,6-trinitro-9-oxo-, 1-acetate?
The molecular formula of 8-Oxa-2,4,6-triazadecan-1-ol, 2,4,6-trinitro-9-oxo-, 1-acetate is C8H14N6O10.
What is the molecular weight of 8-Oxa-2,4,6-triazadecan-1-ol, 2,4,6-trinitro-9-oxo-, 1-acetate?
The molecular weight of 8-Oxa-2,4,6-triazadecan-1-ol, 2,4,6-trinitro-9-oxo-, 1-acetate is 354.08 g/mol.
Where can I buy 8-Oxa-2,4,6-triazadecan-1-ol, 2,4,6-trinitro-9-oxo-, 1-acetate?
You can request a quote for 8-Oxa-2,4,6-triazadecan-1-ol, 2,4,6-trinitro-9-oxo-, 1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Oxa-2,4,6-triazadecan-1-ol, 2,4,6-trinitro-9-oxo-, 1-acetate?
Yes, KEHONG BIO provides custom synthesis services for 8-Oxa-2,4,6-triazadecan-1-ol, 2,4,6-trinitro-9-oxo-, 1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.