![3,7-Dibenzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane structure](/static/products/938/93850-33-0.png)
3,7-Dibenzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane
TL;DR: 3,7-Dibenzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane (CAS 93850-33-0) is a chemical compound with molecular formula C20H24N4O2 and molecular weight 352.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dibenzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane
Also Known As: BAS 00337710, 3,7-dibenzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane, 3,7-Dibenzyl-5-nitro-1,3,7-triaza-bicyclo[3.3.1]nonane, 3,7-bisbenzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane, (1r,5r)-3,7-dibenzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane
| Molecular Formula | C20H24N4O2 |
|---|---|
| Molecular Weight | 352.19 g/mol |
| LogP | 2.2505 |
| Topological Polar Surface Area | 52.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.1899 |
| Heavy Atoms | 26 |
| Complexity | 699.4212 |
Chemical Identifiers
| CAS Number | 93850-33-0 |
|---|---|
| SMILES | C1C2(CN(CN1CN(C2)CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-] |
Product Overview
3,7-Dibenzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane (CAS 93850-33-0), with molecular formula C20H24N4O2 and molecular weight 352.19 g/mol. IUPAC: 3,7-dibenzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane.
Chemical Property Profile of 3,7-Dibenzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane
Property Insights of 3,7-Dibenzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane
The XLogP value of 2.2505 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dibenzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane. With a topological polar surface area (TPSA) of 52.86 Ų, 3,7-Dibenzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dibenzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane has 0 hydrogen bond donor(s) and 5 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-Dibenzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane?
The CAS number of 3,7-Dibenzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane is 93850-33-0.
What is the molecular formula of 3,7-Dibenzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane?
The molecular formula of 3,7-Dibenzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane is C20H24N4O2.
What is the molecular weight of 3,7-Dibenzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane?
The molecular weight of 3,7-Dibenzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane is 352.19 g/mol.
Where can I buy 3,7-Dibenzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane?
You can request a quote for 3,7-Dibenzyl-5-nitro-1,3,7-triazabicyclo[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-Dibenzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dibenzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.