![2,4,6-Trinitrophenol-9-azabicyclo[3.3.1]nonane(1:1) structure](/static/products/7091/709-18-2.webp)
2,4,6-Trinitrophenol-9-azabicyclo[3.3.1]nonane(1:1)
TL;DR: 2,4,6-Trinitrophenol-9-azabicyclo[3.3.1]nonane(1:1) (CAS 709-18-2) is a chemical compound with molecular formula C14H18N4O7 and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-azabicyclo[3.3.1]nonane;2,4,6-trinitrophenol
Also Known As: 2-Chlor-tetradecansaeure, 2,4,6-trinitrophenol- 9-azabicyclo[3.3.1]nonane(1:1), 9-azabicyclo[3.3.1]nonane,2,4,6-trinitrophenol, 9-azabicyclo[3.3.1]nonane; 2,4,6-trinitrophenol, 2,4,6-Trinitrophenol-9-azabicyclo[3.3.1]nonane(1:1)
| Molecular Formula | C14H18N4O7 |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 2.7978 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 354.11755 |
| Heavy Atoms | 25 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 709-18-2 |
|---|---|
| SMILES | C1CC2CCCC(C1)N2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | LFYGOENPGMJALV-UHFFFAOYSA-N |
Product Overview
2,4,6-Trinitrophenol-9-azabicyclo[3.3.1]nonane(1:1) (CAS 709-18-2), with molecular formula C14H18N4O7 and molecular weight 354.12 g/mol. IUPAC: 9-azabicyclo[3.3.1]nonane;2,4,6-trinitrophenol.
Chemical Property Profile of 2,4,6-Trinitrophenol-9-azabicyclo[3.3.1]nonane(1:1)
Property Insights of 2,4,6-Trinitrophenol-9-azabicyclo[3.3.1]nonane(1:1)
The XLogP value of 2.7978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trinitrophenol-9-azabicyclo[3.3.1]nonane(1:1). The TPSA of 170.0 Ų indicates high polarity, suggesting 2,4,6-Trinitrophenol-9-azabicyclo[3.3.1]nonane(1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-Trinitrophenol-9-azabicyclo[3.3.1]nonane(1:1) has 2 hydrogen bond donor(s) and 8 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 2,4,6-Trinitrophenol-9-azabicyclo[3.3.1]nonane(1:1)?
The CAS number of 2,4,6-Trinitrophenol-9-azabicyclo[3.3.1]nonane(1:1) is 709-18-2.
What is the molecular formula of 2,4,6-Trinitrophenol-9-azabicyclo[3.3.1]nonane(1:1)?
The molecular formula of 2,4,6-Trinitrophenol-9-azabicyclo[3.3.1]nonane(1:1) is C14H18N4O7.
What is the molecular weight of 2,4,6-Trinitrophenol-9-azabicyclo[3.3.1]nonane(1:1)?
The molecular weight of 2,4,6-Trinitrophenol-9-azabicyclo[3.3.1]nonane(1:1) is 354.12 g/mol.
Where can I buy 2,4,6-Trinitrophenol-9-azabicyclo[3.3.1]nonane(1:1)?
You can request a quote for 2,4,6-Trinitrophenol-9-azabicyclo[3.3.1]nonane(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trinitrophenol-9-azabicyclo[3.3.1]nonane(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trinitrophenol-9-azabicyclo[3.3.1]nonane(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.