2,4,6-Trinitro-1,3,5-triazinane--2-methyl-1,3,5-trinitrobenzene (3/1)
TL;DR: 2,4,6-Trinitro-1,3,5-triazinane--2-methyl-1,3,5-trinitrobenzene (3/1) (CAS 8065-53-0) is a chemical compound with molecular formula C16H23N21O24 and molecular weight 893.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1,3,5-trinitrobenzene;tris(2,4,6-trinitro-1,3,5-triazinane)
Also Known As: B 3 (lubricant), 2,4,6-Trinitro-1,3,5-triazinane--2-methyl-1,3,5-trinitrobenzene (3/1), 2-methyl-1,3,5-trinitrobenzene; 2,4,6-trinitro-1,3,5-triazinane
| Molecular Formula | C16H23N21O24 |
|---|---|
| Molecular Weight | 893.12 g/mol |
| LogP | -5.93 |
| Topological Polar Surface Area | 658.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 33 |
| Rotatable Bonds | 0 |
| Exact Mass | 893.1225 |
| Heavy Atoms | 61 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 8065-53-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].C1(NC(NC(N1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].C1(NC(NC(N1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].C1(NC(NC(N1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | XOAXPOWWXKXEOY-UHFFFAOYSA-N |
Product Overview
2,4,6-Trinitro-1,3,5-triazinane--2-methyl-1,3,5-trinitrobenzene (3/1) (CAS 8065-53-0), with molecular formula C16H23N21O24 and molecular weight 893.12 g/mol. IUPAC: 2-methyl-1,3,5-trinitrobenzene;tris(2,4,6-trinitro-1,3,5-triazinane).
Chemical Property Profile of 2,4,6-Trinitro-1,3,5-triazinane--2-methyl-1,3,5-trinitrobenzene (3/1)
Property Insights of 2,4,6-Trinitro-1,3,5-triazinane--2-methyl-1,3,5-trinitrobenzene (3/1)
The XLogP value of -5.93 indicates that 2,4,6-Trinitro-1,3,5-triazinane--2-methyl-1,3,5-trinitrobenzene (3/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 658.0 Ų indicates high polarity, suggesting 2,4,6-Trinitro-1,3,5-triazinane--2-methyl-1,3,5-trinitrobenzene (3/1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-Trinitro-1,3,5-triazinane--2-methyl-1,3,5-trinitrobenzene (3/1) has 9 hydrogen bond donor(s) and 33 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-Trinitro-1,3,5-triazinane--2-methyl-1,3,5-trinitrobenzene (3/1)?
The CAS number of 2,4,6-Trinitro-1,3,5-triazinane--2-methyl-1,3,5-trinitrobenzene (3/1) is 8065-53-0.
What is the molecular formula of 2,4,6-Trinitro-1,3,5-triazinane--2-methyl-1,3,5-trinitrobenzene (3/1)?
The molecular formula of 2,4,6-Trinitro-1,3,5-triazinane--2-methyl-1,3,5-trinitrobenzene (3/1) is C16H23N21O24.
What is the molecular weight of 2,4,6-Trinitro-1,3,5-triazinane--2-methyl-1,3,5-trinitrobenzene (3/1)?
The molecular weight of 2,4,6-Trinitro-1,3,5-triazinane--2-methyl-1,3,5-trinitrobenzene (3/1) is 893.12 g/mol.
Where can I buy 2,4,6-Trinitro-1,3,5-triazinane--2-methyl-1,3,5-trinitrobenzene (3/1)?
You can request a quote for 2,4,6-Trinitro-1,3,5-triazinane--2-methyl-1,3,5-trinitrobenzene (3/1) 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-Trinitro-1,3,5-triazinane--2-methyl-1,3,5-trinitrobenzene (3/1)?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trinitro-1,3,5-triazinane--2-methyl-1,3,5-trinitrobenzene (3/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.