![7-(4-bromophenyl)-4-(3-chlorophenyl)-1,4,8-triazatricyclo[6.3.0.0^{2,6}]undecane-3,5-dione structure](/static/products/459/459153-99-2.png)
7-(4-bromophenyl)-4-(3-chlorophenyl)-1,4,8-triazatricyclo[6.3.0.0^{2,6}]undecane-3,5-dione
TL;DR: 7-(4-bromophenyl)-4-(3-chlorophenyl)-1,4,8-triazatricyclo[6.3.0.0^{2,6}]undecane-3,5-dione (CAS 459153-99-2) is a chemical compound with molecular formula C20H17BrClN3O2 and molecular weight 445.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-bromophenyl)-4-(3-chlorophenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: 7-(4-bromophenyl)-4-(3-chlorophenyl)-1,4,8-triazatricyclo[6.3.0.0^{2,6}]undecane-3,5-dione, 9-(4-bromophenyl)-2-(3-chlorophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione, 9-(4-bromophenyl)-2-(3-chlorophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
| Molecular Formula | C20H17BrClN3O2 |
|---|---|
| Molecular Weight | 445.02 g/mol |
| LogP | 3.6381 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 445.01926 |
| Heavy Atoms | 27 |
| Complexity | 935.079 |
Chemical Identifiers
| CAS Number | 459153-99-2 |
|---|---|
| SMILES | C1CN2C(C3C(N2C1)C(=O)N(C3=O)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)Br |
Product Overview
7-(4-bromophenyl)-4-(3-chlorophenyl)-1,4,8-triazatricyclo[6.3.0.0^{2,6}]undecane-3,5-dione (CAS 459153-99-2), with molecular formula C20H17BrClN3O2 and molecular weight 445.02 g/mol. IUPAC: 7-(4-bromophenyl)-4-(3-chlorophenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.
Chemical Property Profile of 7-(4-bromophenyl)-4-(3-chlorophenyl)-1,4,8-triazatricyclo[6.3.0.0^{2,6}]undecane-3,5-dione
Property Insights of 7-(4-bromophenyl)-4-(3-chlorophenyl)-1,4,8-triazatricyclo[6.3.0.0^{2,6}]undecane-3,5-dione
The XLogP value of 3.6381 indicates that 7-(4-bromophenyl)-4-(3-chlorophenyl)-1,4,8-triazatricyclo[6.3.0.0^{2,6}]undecane-3,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.86 Ų, 7-(4-bromophenyl)-4-(3-chlorophenyl)-1,4,8-triazatricyclo[6.3.0.0^{2,6}]undecane-3,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(4-bromophenyl)-4-(3-chlorophenyl)-1,4,8-triazatricyclo[6.3.0.0^{2,6}]undecane-3,5-dione has 0 hydrogen bond donor(s) and 4 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 7-(4-bromophenyl)-4-(3-chlorophenyl)-1,4,8-triazatricyclo[6.3.0.0^{2,6}]undecane-3,5-dione?
The CAS number of 7-(4-bromophenyl)-4-(3-chlorophenyl)-1,4,8-triazatricyclo[6.3.0.0^{2,6}]undecane-3,5-dione is 459153-99-2.
What is the molecular formula of 7-(4-bromophenyl)-4-(3-chlorophenyl)-1,4,8-triazatricyclo[6.3.0.0^{2,6}]undecane-3,5-dione?
The molecular formula of 7-(4-bromophenyl)-4-(3-chlorophenyl)-1,4,8-triazatricyclo[6.3.0.0^{2,6}]undecane-3,5-dione is C20H17BrClN3O2.
What is the molecular weight of 7-(4-bromophenyl)-4-(3-chlorophenyl)-1,4,8-triazatricyclo[6.3.0.0^{2,6}]undecane-3,5-dione?
The molecular weight of 7-(4-bromophenyl)-4-(3-chlorophenyl)-1,4,8-triazatricyclo[6.3.0.0^{2,6}]undecane-3,5-dione is 445.02 g/mol.
Where can I buy 7-(4-bromophenyl)-4-(3-chlorophenyl)-1,4,8-triazatricyclo[6.3.0.0^{2,6}]undecane-3,5-dione?
You can request a quote for 7-(4-bromophenyl)-4-(3-chlorophenyl)-1,4,8-triazatricyclo[6.3.0.0^{2,6}]undecane-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(4-bromophenyl)-4-(3-chlorophenyl)-1,4,8-triazatricyclo[6.3.0.0^{2,6}]undecane-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-bromophenyl)-4-(3-chlorophenyl)-1,4,8-triazatricyclo[6.3.0.0^{2,6}]undecane-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.