1-Nitro-3,5-dinitroso-1,3,5-triazinane
TL;DR: 1-Nitro-3,5-dinitroso-1,3,5-triazinane (CAS 80251-29-2) is a chemical compound with molecular formula C3H6N6O4 and molecular weight 190.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-3,5-dinitroso-1,3,5-triazinane
Also Known As: 1-nitro-3,5-dinitroso-1,3,5-triazinane, c0641, hexahydro-1,3-dinitroso-5-nitro-1,3,5-triazine, 1-Nitro-3,5-dinitrosohexahydro-s-triazine, J1.144.714G
| Molecular Formula | C3H6N6O4 |
|---|---|
| Molecular Weight | 190.05 g/mol |
| LogP | -0.667 |
| Topological Polar Surface Area | 111.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.04506 |
| Heavy Atoms | 13 |
| Complexity | 215.91925 |
Chemical Identifiers
| CAS Number | 80251-29-2 |
|---|---|
| SMILES | C1N(CN(CN1N=O)[N+](=O)[O-])N=O |
Product Overview
1-Nitro-3,5-dinitroso-1,3,5-triazinane (CAS 80251-29-2), with molecular formula C3H6N6O4 and molecular weight 190.05 g/mol. IUPAC: 1-nitro-3,5-dinitroso-1,3,5-triazinane.
Chemical Property Profile of 1-Nitro-3,5-dinitroso-1,3,5-triazinane
Property Insights of 1-Nitro-3,5-dinitroso-1,3,5-triazinane
The XLogP value of -0.667 indicates that 1-Nitro-3,5-dinitroso-1,3,5-triazinane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitro-3,5-dinitroso-1,3,5-triazinane. Following Lipinski's Rule of Five, 1-Nitro-3,5-dinitroso-1,3,5-triazinane has 0 hydrogen bond donor(s) and 6 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-Nitro-3,5-dinitroso-1,3,5-triazinane?
The CAS number of 1-Nitro-3,5-dinitroso-1,3,5-triazinane is 80251-29-2.
What is the molecular formula of 1-Nitro-3,5-dinitroso-1,3,5-triazinane?
The molecular formula of 1-Nitro-3,5-dinitroso-1,3,5-triazinane is C3H6N6O4.
What is the molecular weight of 1-Nitro-3,5-dinitroso-1,3,5-triazinane?
The molecular weight of 1-Nitro-3,5-dinitroso-1,3,5-triazinane is 190.05 g/mol.
Where can I buy 1-Nitro-3,5-dinitroso-1,3,5-triazinane?
You can request a quote for 1-Nitro-3,5-dinitroso-1,3,5-triazinane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-3,5-dinitroso-1,3,5-triazinane?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-3,5-dinitroso-1,3,5-triazinane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.