![3,5,6-Triphenyl-2,3,5,6-tetraazabicyclo[2.1.1]hex-1-ene structure](/static/products/2218/2218-94-2.webp)
3,5,6-Triphenyl-2,3,5,6-tetraazabicyclo[2.1.1]hex-1-ene
TL;DR: 3,5,6-Triphenyl-2,3,5,6-tetraazabicyclo[2.1.1]hex-1-ene (CAS 2218-94-2) is a chemical compound with molecular formula C20H16N4 and molecular weight 312.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,6-triphenyl-2,3,5,6-tetrazabicyclo[2.1.1]hex-1-ene
Also Known As: Nitron, Nitron (bicyclic compd.), Nitron (bicyclic compound), 3,5,6-Triphenyl-2,3,5,6-tetraazabicyclo[2.1.1]hex-1-ene, 2,5,6-triphenyl-2,3,5,6-tetrazabicyclo[2.1.1]hex-3-ene
| Molecular Formula | C20H16N4 |
|---|---|
| Molecular Weight | 312.14 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 22.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.13748 |
| Heavy Atoms | 24 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 2218-94-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3N(C2=NN3C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | RBLFMNNBMUXHHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5,6-Triphenyl-2,3,5,6-tetraazabicyclo[2.1.1]hex-1-ene (CAS 2218-94-2), with molecular formula C20H16N4 and molecular weight 312.14 g/mol. IUPAC: 3,5,6-triphenyl-2,3,5,6-tetrazabicyclo[2.1.1]hex-1-ene.
Chemical Property Profile of 3,5,6-Triphenyl-2,3,5,6-tetraazabicyclo[2.1.1]hex-1-ene
Property Insights of 3,5,6-Triphenyl-2,3,5,6-tetraazabicyclo[2.1.1]hex-1-ene
The XLogP value of 4.7 indicates that 3,5,6-Triphenyl-2,3,5,6-tetraazabicyclo[2.1.1]hex-1-ene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.1 Ų, 3,5,6-Triphenyl-2,3,5,6-tetraazabicyclo[2.1.1]hex-1-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5,6-Triphenyl-2,3,5,6-tetraazabicyclo[2.1.1]hex-1-ene has 0 hydrogen bond donor(s) and 2 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 3,5,6-Triphenyl-2,3,5,6-tetraazabicyclo[2.1.1]hex-1-ene?
The CAS number of 3,5,6-Triphenyl-2,3,5,6-tetraazabicyclo[2.1.1]hex-1-ene is 2218-94-2.
What is the molecular formula of 3,5,6-Triphenyl-2,3,5,6-tetraazabicyclo[2.1.1]hex-1-ene?
The molecular formula of 3,5,6-Triphenyl-2,3,5,6-tetraazabicyclo[2.1.1]hex-1-ene is C20H16N4.
What is the molecular weight of 3,5,6-Triphenyl-2,3,5,6-tetraazabicyclo[2.1.1]hex-1-ene?
The molecular weight of 3,5,6-Triphenyl-2,3,5,6-tetraazabicyclo[2.1.1]hex-1-ene is 312.14 g/mol.
Where can I buy 3,5,6-Triphenyl-2,3,5,6-tetraazabicyclo[2.1.1]hex-1-ene?
You can request a quote for 3,5,6-Triphenyl-2,3,5,6-tetraazabicyclo[2.1.1]hex-1-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,6-Triphenyl-2,3,5,6-tetraazabicyclo[2.1.1]hex-1-ene?
Yes, KEHONG BIO provides custom synthesis services for 3,5,6-Triphenyl-2,3,5,6-tetraazabicyclo[2.1.1]hex-1-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.