![3-Benzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane structure](/static/products/938/93850-37-4.png)
3-Benzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane
TL;DR: 3-Benzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane (CAS 93850-37-4) is a chemical compound with molecular formula C13H18N4O2 and molecular weight 262.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane
Also Known As: 3-benzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane, 3-Benzyl-5-nitro-1,3,7-triaza-bicyclo[3.3.1]nonane, (1S,5S)-3-benzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane
| Molecular Formula | C13H18N4O2 |
|---|---|
| Molecular Weight | 262.14 g/mol |
| LogP | 0.3379 |
| Topological Polar Surface Area | 61.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.14297 |
| Heavy Atoms | 19 |
| Complexity | 466.97083 |
Chemical Identifiers
| CAS Number | 93850-37-4 |
|---|---|
| SMILES | C1C2(CN(CN1)CN(C2)CC3=CC=CC=C3)[N+](=O)[O-] |
Product Overview
3-Benzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane (CAS 93850-37-4), with molecular formula C13H18N4O2 and molecular weight 262.14 g/mol. IUPAC: 3-benzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane.
Chemical Property Profile of 3-Benzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane
Property Insights of 3-Benzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane
The XLogP value of 0.3379 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane. The TPSA of 61.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane. Following Lipinski's Rule of Five, 3-Benzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane has 1 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-Benzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane?
The CAS number of 3-Benzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane is 93850-37-4.
What is the molecular formula of 3-Benzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane?
The molecular formula of 3-Benzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane is C13H18N4O2.
What is the molecular weight of 3-Benzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane?
The molecular weight of 3-Benzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane is 262.14 g/mol.
Where can I buy 3-Benzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane?
You can request a quote for 3-Benzyl-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-Benzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.