1,3,5-Triazine, 1-acetylhexahydro-3,5-dinitro-
TL;DR: 1,3,5-Triazine, 1-acetylhexahydro-3,5-dinitro- (CAS 14168-42-4) is a chemical compound with molecular formula C5H9N5O5 and molecular weight 219.06036 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,5-dinitro-1,3,5-triazinan-1-yl)ethanone
Also Known As: 1,3,5-Triazine, 1-acetylhexahydro-3,5-dinitro-, 1-ACETYLHEXAHYDRO-3,5-DINITRO-1,3,5-TRIAZINE, 1-acetyl-3,5-dinitrohexahydro-1,3,5-triazine, (3,5-dinitro-1,3,5-triazinan-1-yl)methanone, 1-(3,5-dinitro-1,3,5-triazinan-1-yl)ethan-1-one
Technical Specifications
| Molecular Formula | C5H9N5O5 |
| Molecular Weight | 219.06036 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 219.06036 Da |
| Heavy Atoms | 15 |
| Complexity | 273.0 |
| SMILES | CC(=O)N1CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | TYFMKLUIMMSDRU-UHFFFAOYSA-N |
Chemical Property Profile of 1,3,5-Triazine, 1-acetylhexahydro-3,5-dinitro-
Property Insights of 1,3,5-Triazine, 1-acetylhexahydro-3,5-dinitro-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Triazine, 1-acetylhexahydro-3,5-dinitro-. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Triazine, 1-acetylhexahydro-3,5-dinitro-. Following Lipinski's Rule of Five, 1,3,5-Triazine, 1-acetylhexahydro-3,5-dinitro- has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3,5-Triazine, 1-acetylhexahydro-3,5-dinitro-?
The CAS number of 1,3,5-Triazine, 1-acetylhexahydro-3,5-dinitro- is 14168-42-4.
What is the molecular formula of 1,3,5-Triazine, 1-acetylhexahydro-3,5-dinitro-?
The molecular formula of 1,3,5-Triazine, 1-acetylhexahydro-3,5-dinitro- is C5H9N5O5.
What is the molecular weight of 1,3,5-Triazine, 1-acetylhexahydro-3,5-dinitro-?
The molecular weight of 1,3,5-Triazine, 1-acetylhexahydro-3,5-dinitro- is 219.06036 g/mol.
Where can I buy 1,3,5-Triazine, 1-acetylhexahydro-3,5-dinitro-?
You can request a quote for 1,3,5-Triazine, 1-acetylhexahydro-3,5-dinitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3,5-Triazine, 1-acetylhexahydro-3,5-dinitro-?
Yes, CoreyChem provides custom synthesis services for 1,3,5-Triazine, 1-acetylhexahydro-3,5-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.