![7-[(4-Bromophenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione structure](/static/products/878/878441-35-1.png)
7-[(4-Bromophenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione
TL;DR: 7-[(4-Bromophenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione (CAS 878441-35-1) is a chemical compound with molecular formula C17H19BrN6O2 and molecular weight 418.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-bromophenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione
Also Known As: BAS 13765770, AB00680217-01, 7-[(4-bromophenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione, F2636-0644, 7-(4-bromobenzyl)-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C17H19BrN6O2 |
|---|---|
| Molecular Weight | 418.08 g/mol |
| LogP | 0.6437 |
| Topological Polar Surface Area | 87.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.0753 |
| Heavy Atoms | 26 |
| Complexity | 1059.7771 |
Chemical Identifiers
| CAS Number | 878441-35-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)CC4=CC=C(C=C4)Br |
Product Overview
7-[(4-Bromophenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione (CAS 878441-35-1), with molecular formula C17H19BrN6O2 and molecular weight 418.08 g/mol. IUPAC: 7-[(4-bromophenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione.
Chemical Property Profile of 7-[(4-Bromophenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione
Property Insights of 7-[(4-Bromophenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione
The XLogP value of 0.6437 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[(4-Bromophenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione. The TPSA of 87.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(4-Bromophenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione. Following Lipinski's Rule of Five, 7-[(4-Bromophenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione has 2 hydrogen bond donor(s) and 5 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)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione?
The CAS number of 7-[(4-Bromophenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione is 878441-35-1.
What is the molecular formula of 7-[(4-Bromophenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione?
The molecular formula of 7-[(4-Bromophenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione is C17H19BrN6O2.
What is the molecular weight of 7-[(4-Bromophenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione?
The molecular weight of 7-[(4-Bromophenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione is 418.08 g/mol.
Where can I buy 7-[(4-Bromophenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione?
You can request a quote for 7-[(4-Bromophenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-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)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[(4-Bromophenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.