1-(Hexahydro-3,5,7-trinitro-1,3,5,7-tetrazocin-1(2H)-yl)ethanone
TL;DR: 1-(Hexahydro-3,5,7-trinitro-1,3,5,7-tetrazocin-1(2H)-yl)ethanone (CAS 13980-00-2) is a chemical compound with molecular formula C6H11N7O7 and molecular weight 293.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5,7-trinitro-1,3,5,7-tetrazocan-1-yl)ethanone
Also Known As: Solex, SEX (explosive), Solex (explosive), 1-Acetyloctahydro-3,5,7-trinitro-1,3,5,7-tetrazocine, 1-(3,5,7-trinitro-1,3,5,7-tetrazocan-1-yl)ethanone
| Molecular Formula | C6H11N7O7 |
|---|---|
| Molecular Weight | 293.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 0 |
| Exact Mass | 293.072 |
| Heavy Atoms | 20 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 13980-00-2 |
|---|---|
| SMILES | CC(=O)N1CN(CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CJYDNDLQIIGSTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Hexahydro-3,5,7-trinitro-1,3,5,7-tetrazocin-1(2H)-yl)ethanone (CAS 13980-00-2), with molecular formula C6H11N7O7 and molecular weight 293.07 g/mol. IUPAC: 1-(3,5,7-trinitro-1,3,5,7-tetrazocan-1-yl)ethanone.
Chemical Property Profile of 1-(Hexahydro-3,5,7-trinitro-1,3,5,7-tetrazocin-1(2H)-yl)ethanone
Property Insights of 1-(Hexahydro-3,5,7-trinitro-1,3,5,7-tetrazocin-1(2H)-yl)ethanone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Hexahydro-3,5,7-trinitro-1,3,5,7-tetrazocin-1(2H)-yl)ethanone. The TPSA of 167.0 Ų indicates high polarity, suggesting 1-(Hexahydro-3,5,7-trinitro-1,3,5,7-tetrazocin-1(2H)-yl)ethanone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(Hexahydro-3,5,7-trinitro-1,3,5,7-tetrazocin-1(2H)-yl)ethanone has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(Hexahydro-3,5,7-trinitro-1,3,5,7-tetrazocin-1(2H)-yl)ethanone?
The CAS number of 1-(Hexahydro-3,5,7-trinitro-1,3,5,7-tetrazocin-1(2H)-yl)ethanone is 13980-00-2.
What is the molecular formula of 1-(Hexahydro-3,5,7-trinitro-1,3,5,7-tetrazocin-1(2H)-yl)ethanone?
The molecular formula of 1-(Hexahydro-3,5,7-trinitro-1,3,5,7-tetrazocin-1(2H)-yl)ethanone is C6H11N7O7.
What is the molecular weight of 1-(Hexahydro-3,5,7-trinitro-1,3,5,7-tetrazocin-1(2H)-yl)ethanone?
The molecular weight of 1-(Hexahydro-3,5,7-trinitro-1,3,5,7-tetrazocin-1(2H)-yl)ethanone is 293.07 g/mol.
Where can I buy 1-(Hexahydro-3,5,7-trinitro-1,3,5,7-tetrazocin-1(2H)-yl)ethanone?
You can request a quote for 1-(Hexahydro-3,5,7-trinitro-1,3,5,7-tetrazocin-1(2H)-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Hexahydro-3,5,7-trinitro-1,3,5,7-tetrazocin-1(2H)-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(Hexahydro-3,5,7-trinitro-1,3,5,7-tetrazocin-1(2H)-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.