7-(4-bromobenzyl)-8-(4-methoxyphenoxy)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(4-bromobenzyl)-8-(4-methoxyphenoxy)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 359710-49-9) is a chemical compound with molecular formula C21H19BrN4O4 and molecular weight 470.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-bromophenyl)methyl]-8-(4-methoxyphenoxy)-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(4-bromobenzyl)-8-(4-methoxyphenoxy)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-(4-bromobenzyl)-8-(4-methoxyphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(4-bromophenyl)methyl]-8-(4-methoxyphenoxy)-1,3-dimethylpurine-2,6-dione, 7-[(4-BROMOPHENYL)METHYL]-8-(4-METHOXYPHENOXY)-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C21H19BrN4O4 |
|---|---|
| Molecular Weight | 470.06 g/mol |
| LogP | 3.0454 |
| Topological Polar Surface Area | 80.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.05896 |
| Heavy Atoms | 30 |
| Complexity | 1335.4271 |
Chemical Identifiers
| CAS Number | 359710-49-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)Br |
Product Overview
7-(4-bromobenzyl)-8-(4-methoxyphenoxy)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 359710-49-9), with molecular formula C21H19BrN4O4 and molecular weight 470.06 g/mol. IUPAC: 7-[(4-bromophenyl)methyl]-8-(4-methoxyphenoxy)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(4-bromobenzyl)-8-(4-methoxyphenoxy)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(4-bromobenzyl)-8-(4-methoxyphenoxy)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.0454 indicates that 7-(4-bromobenzyl)-8-(4-methoxyphenoxy)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-bromobenzyl)-8-(4-methoxyphenoxy)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(4-bromobenzyl)-8-(4-methoxyphenoxy)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione has 0 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-bromobenzyl)-8-(4-methoxyphenoxy)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(4-bromobenzyl)-8-(4-methoxyphenoxy)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 359710-49-9.
What is the molecular formula of 7-(4-bromobenzyl)-8-(4-methoxyphenoxy)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(4-bromobenzyl)-8-(4-methoxyphenoxy)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C21H19BrN4O4.
What is the molecular weight of 7-(4-bromobenzyl)-8-(4-methoxyphenoxy)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(4-bromobenzyl)-8-(4-methoxyphenoxy)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 470.06 g/mol.
Where can I buy 7-(4-bromobenzyl)-8-(4-methoxyphenoxy)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(4-bromobenzyl)-8-(4-methoxyphenoxy)-1,3-dimethyl-1H-purine-2,6(3H,7H)-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-bromobenzyl)-8-(4-methoxyphenoxy)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-bromobenzyl)-8-(4-methoxyphenoxy)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.