![6-(4-bromophenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene structure](/static/products/3260/326015-85-4.webp)
6-(4-bromophenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene
TL;DR: 6-(4-bromophenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene (CAS 326015-85-4) is a chemical compound with molecular formula C21H18BrN3 and molecular weight 391.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-bromophenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene
Also Known As: 6-(4-bromophenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene, F0081-0234, 1-(4-bromophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene, 4-(4-bromophenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene, 6-(4-bromophenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene
| Molecular Formula | C21H18BrN3 |
|---|---|
| Molecular Weight | 391.07 g/mol |
| LogP | 5.5686 |
| Topological Polar Surface Area | 22.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 391.06842 |
| Heavy Atoms | 25 |
| Complexity | 1042.3871 |
Chemical Identifiers
| CAS Number | 326015-85-4 |
|---|---|
| SMILES | C1CCN2C3=C(C1)C(=CN3N=C2C4=CC=CC=C4)C5=CC=C(C=C5)Br |
Product Overview
6-(4-bromophenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene (CAS 326015-85-4), with molecular formula C21H18BrN3 and molecular weight 391.07 g/mol. IUPAC: 6-(4-bromophenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene.
Chemical Property Profile of 6-(4-bromophenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene
Property Insights of 6-(4-bromophenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene
The XLogP value of 5.5686 indicates that 6-(4-bromophenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.23 Ų, 6-(4-bromophenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(4-bromophenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-(4-bromophenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene?
The CAS number of 6-(4-bromophenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene is 326015-85-4.
What is the molecular formula of 6-(4-bromophenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene?
The molecular formula of 6-(4-bromophenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene is C21H18BrN3.
What is the molecular weight of 6-(4-bromophenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene?
The molecular weight of 6-(4-bromophenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene is 391.07 g/mol.
Where can I buy 6-(4-bromophenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene?
You can request a quote for 6-(4-bromophenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-bromophenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-bromophenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.