![1-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione structure](/static/products/369/369605-88-9.png)
1-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione
TL;DR: 1-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione (CAS 369605-88-9) is a chemical compound with molecular formula C22H20BrClN4O3 and molecular weight 502.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione
Also Known As: 1-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione, 1-(4-bromobenzyl)-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 1-(4-bromobenzyl)-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 1-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethyl-phenoxy)-3,7-dimethyl-purine-2,6-dione
| Molecular Formula | C22H20BrClN4O3 |
|---|---|
| Molecular Weight | 502.04 g/mol |
| LogP | 4.30704 |
| Topological Polar Surface Area | 71.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 502.04074 |
| Heavy Atoms | 31 |
| Complexity | 1411.6415 |
Chemical Identifiers
| CAS Number | 369605-88-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)C)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)Br |
Product Overview
1-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione (CAS 369605-88-9), with molecular formula C22H20BrClN4O3 and molecular weight 502.04 g/mol. IUPAC: 1-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 1-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione
Property Insights of 1-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione
The XLogP value of 4.30704 indicates that 1-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 1-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione?
The CAS number of 1-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione is 369605-88-9.
What is the molecular formula of 1-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione?
The molecular formula of 1-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione is C22H20BrClN4O3.
What is the molecular weight of 1-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione?
The molecular weight of 1-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione is 502.04 g/mol.
Where can I buy 1-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione?
You can request a quote for 1-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethylpurine-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 1-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.