5,7-Dinitro-1,3-diazaadamantane
TL;DR: 5,7-Dinitro-1,3-diazaadamantane (CAS 42212-82-8) is a chemical compound with molecular formula C8H12N4O4 and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decane
Also Known As: ChemDiv1_027806, 5,7-Dinitro-1,3-diazaadamantane, 1,3-Diazadamantane, 5,7-dinitro-, BAS 01182959, (1s,3s,5s,7s)-5,7-dinitro-1,3-diazaadamantane
| Molecular Formula | C8H12N4O4 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.08586 |
| Heavy Atoms | 16 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 42212-82-8 |
|---|---|
| SMILES | C1C2(CN3CC1(CN(C2)C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | PEAVOCFYRIZZJU-UHFFFAOYSA-N |
Product Overview
5,7-Dinitro-1,3-diazaadamantane (CAS 42212-82-8), with molecular formula C8H12N4O4 and molecular weight 228.09 g/mol. IUPAC: 5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 5,7-Dinitro-1,3-diazaadamantane
Property Insights of 5,7-Dinitro-1,3-diazaadamantane
The XLogP value of -0.6 indicates that 5,7-Dinitro-1,3-diazaadamantane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,7-Dinitro-1,3-diazaadamantane. Following Lipinski's Rule of Five, 5,7-Dinitro-1,3-diazaadamantane 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 5,7-Dinitro-1,3-diazaadamantane?
The CAS number of 5,7-Dinitro-1,3-diazaadamantane is 42212-82-8.
What is the molecular formula of 5,7-Dinitro-1,3-diazaadamantane?
The molecular formula of 5,7-Dinitro-1,3-diazaadamantane is C8H12N4O4.
What is the molecular weight of 5,7-Dinitro-1,3-diazaadamantane?
The molecular weight of 5,7-Dinitro-1,3-diazaadamantane is 228.09 g/mol.
Where can I buy 5,7-Dinitro-1,3-diazaadamantane?
You can request a quote for 5,7-Dinitro-1,3-diazaadamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Dinitro-1,3-diazaadamantane?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dinitro-1,3-diazaadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.