1H-1,3-5-Triazepine, hexahydro-1,3-dinitro-5-nitroso-
TL;DR: 1H-1,3-5-Triazepine, hexahydro-1,3-dinitro-5-nitroso- (CAS 49838-65-5) is a chemical compound with molecular formula C4H8N6O5 and molecular weight 220.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dinitro-5-nitroso-1,3,5-triazepane
Also Known As: 1,3-dinitro-5-nitroso-1,3,5-triazepane, 1,3-Dinitro-5-nitrosohexahydro-1H-1,3,5-triazepine, 1H-1,3-5-Triazepine, hexahydro-1,3-dinitro-5-nitroso-, Hexahydro-1,3-dinitro-5-nitroso-1H-1,3,5-triazepine, RefChem:237107
| Molecular Formula | C4H8N6O5 |
|---|---|
| Molecular Weight | 220.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.05562 |
| Heavy Atoms | 15 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 49838-65-5 |
|---|---|
| SMILES | C1CN(CN(CN1N=O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | PHSFGFFIQNTJJJ-UHFFFAOYSA-N |
Product Overview
1H-1,3-5-Triazepine, hexahydro-1,3-dinitro-5-nitroso- (CAS 49838-65-5), with molecular formula C4H8N6O5 and molecular weight 220.06 g/mol. IUPAC: 1,3-dinitro-5-nitroso-1,3,5-triazepane.
Chemical Property Profile of 1H-1,3-5-Triazepine, hexahydro-1,3-dinitro-5-nitroso-
Property Insights of 1H-1,3-5-Triazepine, hexahydro-1,3-dinitro-5-nitroso-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,3-5-Triazepine, hexahydro-1,3-dinitro-5-nitroso-. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,3-5-Triazepine, hexahydro-1,3-dinitro-5-nitroso-. Following Lipinski's Rule of Five, 1H-1,3-5-Triazepine, hexahydro-1,3-dinitro-5-nitroso- has 0 hydrogen bond donor(s) and 9 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 1H-1,3-5-Triazepine, hexahydro-1,3-dinitro-5-nitroso-?
The CAS number of 1H-1,3-5-Triazepine, hexahydro-1,3-dinitro-5-nitroso- is 49838-65-5.
What is the molecular formula of 1H-1,3-5-Triazepine, hexahydro-1,3-dinitro-5-nitroso-?
The molecular formula of 1H-1,3-5-Triazepine, hexahydro-1,3-dinitro-5-nitroso- is C4H8N6O5.
What is the molecular weight of 1H-1,3-5-Triazepine, hexahydro-1,3-dinitro-5-nitroso-?
The molecular weight of 1H-1,3-5-Triazepine, hexahydro-1,3-dinitro-5-nitroso- is 220.06 g/mol.
Where can I buy 1H-1,3-5-Triazepine, hexahydro-1,3-dinitro-5-nitroso-?
You can request a quote for 1H-1,3-5-Triazepine, hexahydro-1,3-dinitro-5-nitroso- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,3-5-Triazepine, hexahydro-1,3-dinitro-5-nitroso-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,3-5-Triazepine, hexahydro-1,3-dinitro-5-nitroso- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.