![4-(4-bromophenyl)-2-(2,6-dichlorophenyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-triene structure](/static/products/845/845901-16-8.png)
4-(4-bromophenyl)-2-(2,6-dichlorophenyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-triene
TL;DR: 4-(4-bromophenyl)-2-(2,6-dichlorophenyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-triene (CAS 845901-16-8) is a chemical compound with molecular formula C17H11BrCl2N4 and molecular weight 419.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromophenyl)-7-(2,6-dichlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
Also Known As: 4-(4-bromophenyl)-2-(2,6-dichlorophenyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-triene, 5-(4-bromophenyl)-7-(2,6-dichlorophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine, 5-(4-bromophenyl)-7-(2,6-dichlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine, 5-(4-bromophenyl)-7-(2,6-dichlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C17H11BrCl2N4 |
|---|---|
| Molecular Weight | 419.95 g/mol |
| LogP | 5.4034 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 419.9544 |
| Heavy Atoms | 24 |
| Complexity | 913.76855 |
Chemical Identifiers
| CAS Number | 845901-16-8 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C2C=C(NC3=NC=NN23)C4=CC=C(C=C4)Br)Cl |
Product Overview
4-(4-bromophenyl)-2-(2,6-dichlorophenyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-triene (CAS 845901-16-8), with molecular formula C17H11BrCl2N4 and molecular weight 419.95 g/mol. IUPAC: 5-(4-bromophenyl)-7-(2,6-dichlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
Chemical Property Profile of 4-(4-bromophenyl)-2-(2,6-dichlorophenyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-triene
Property Insights of 4-(4-bromophenyl)-2-(2,6-dichlorophenyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-triene
The XLogP value of 5.4034 indicates that 4-(4-bromophenyl)-2-(2,6-dichlorophenyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-triene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.74 Ų, 4-(4-bromophenyl)-2-(2,6-dichlorophenyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-triene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-bromophenyl)-2-(2,6-dichlorophenyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-triene has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-bromophenyl)-2-(2,6-dichlorophenyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-triene?
The CAS number of 4-(4-bromophenyl)-2-(2,6-dichlorophenyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-triene is 845901-16-8.
What is the molecular formula of 4-(4-bromophenyl)-2-(2,6-dichlorophenyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-triene?
The molecular formula of 4-(4-bromophenyl)-2-(2,6-dichlorophenyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-triene is C17H11BrCl2N4.
What is the molecular weight of 4-(4-bromophenyl)-2-(2,6-dichlorophenyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-triene?
The molecular weight of 4-(4-bromophenyl)-2-(2,6-dichlorophenyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-triene is 419.95 g/mol.
Where can I buy 4-(4-bromophenyl)-2-(2,6-dichlorophenyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-triene?
You can request a quote for 4-(4-bromophenyl)-2-(2,6-dichlorophenyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-triene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-bromophenyl)-2-(2,6-dichlorophenyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-triene?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-bromophenyl)-2-(2,6-dichlorophenyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-triene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.