![1,5-Dinitro-3,7-diazabicyclo[3.3.1]nonane structure](/static/products/1298/129886-83-5.webp)
1,5-Dinitro-3,7-diazabicyclo[3.3.1]nonane
TL;DR: 1,5-Dinitro-3,7-diazabicyclo[3.3.1]nonane (CAS 129886-83-5) is a chemical compound with molecular formula C7H12N4O4 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane
Also Known As: 1,5-Dinitro-3,7-diazabicyclo[3.3.1]nonane, AE-848/33858013, 1,5-bisnitro-3,7-diazabicyclo[3.3.1]nonane
| Molecular Formula | C7H12N4O4 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.08586 |
| Heavy Atoms | 15 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 129886-83-5 |
|---|---|
| SMILES | C1C2(CNCC1(CNC2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | YHIDNDRTGFAMFL-UHFFFAOYSA-N |
Product Overview
1,5-Dinitro-3,7-diazabicyclo[3.3.1]nonane (CAS 129886-83-5), with molecular formula C7H12N4O4 and molecular weight 216.09 g/mol. IUPAC: 1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane.
Chemical Property Profile of 1,5-Dinitro-3,7-diazabicyclo[3.3.1]nonane
Property Insights of 1,5-Dinitro-3,7-diazabicyclo[3.3.1]nonane
The XLogP value of -1.4 indicates that 1,5-Dinitro-3,7-diazabicyclo[3.3.1]nonane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-Dinitro-3,7-diazabicyclo[3.3.1]nonane. Following Lipinski's Rule of Five, 1,5-Dinitro-3,7-diazabicyclo[3.3.1]nonane has 2 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 1,5-Dinitro-3,7-diazabicyclo[3.3.1]nonane?
The CAS number of 1,5-Dinitro-3,7-diazabicyclo[3.3.1]nonane is 129886-83-5.
What is the molecular formula of 1,5-Dinitro-3,7-diazabicyclo[3.3.1]nonane?
The molecular formula of 1,5-Dinitro-3,7-diazabicyclo[3.3.1]nonane is C7H12N4O4.
What is the molecular weight of 1,5-Dinitro-3,7-diazabicyclo[3.3.1]nonane?
The molecular weight of 1,5-Dinitro-3,7-diazabicyclo[3.3.1]nonane is 216.09 g/mol.
Where can I buy 1,5-Dinitro-3,7-diazabicyclo[3.3.1]nonane?
You can request a quote for 1,5-Dinitro-3,7-diazabicyclo[3.3.1]nonane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dinitro-3,7-diazabicyclo[3.3.1]nonane?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dinitro-3,7-diazabicyclo[3.3.1]nonane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.