![3,7-Ditert-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane structure](/static/products/813/81340-12-7.png)
3,7-Ditert-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane
TL;DR: 3,7-Ditert-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane (CAS 81340-12-7) is a chemical compound with molecular formula C15H28N4O4 and molecular weight 328.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-ditert-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane
Also Known As: 3,7-Di-tert-butyl-1,5-dinitro-3,7-diaza-bicyclo[3.3.1]nonane, 3,7-ditert-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane, 3,7-di-tert-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane, 1,5-dinitro-3,7-di(t-butyl)-3,7-diazabicyclo[3.3.1]-nonane
| Molecular Formula | C15H28N4O4 |
|---|---|
| Molecular Weight | 328.21 g/mol |
| LogP | 1.6357 |
| Topological Polar Surface Area | 92.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.21106 |
| Heavy Atoms | 23 |
| Complexity | 462.55035 |
Chemical Identifiers
| CAS Number | 81340-12-7 |
|---|---|
| SMILES | CC(C)(C)N1CC2(CC(C1)(CN(C2)C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3,7-Ditert-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane (CAS 81340-12-7), with molecular formula C15H28N4O4 and molecular weight 328.21 g/mol. IUPAC: 3,7-ditert-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane.
Chemical Property Profile of 3,7-Ditert-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane
Property Insights of 3,7-Ditert-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane
The XLogP value of 1.6357 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Ditert-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane. The TPSA of 92.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Ditert-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane. Following Lipinski's Rule of Five, 3,7-Ditert-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane 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 3,7-Ditert-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane?
The CAS number of 3,7-Ditert-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane is 81340-12-7.
What is the molecular formula of 3,7-Ditert-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane?
The molecular formula of 3,7-Ditert-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane is C15H28N4O4.
What is the molecular weight of 3,7-Ditert-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane?
The molecular weight of 3,7-Ditert-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane is 328.21 g/mol.
Where can I buy 3,7-Ditert-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane?
You can request a quote for 3,7-Ditert-butyl-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 3,7-Ditert-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Ditert-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.