8-(4-bromophenoxy)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(4-bromophenoxy)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 369603-86-1) is a chemical compound with molecular formula C20H16BrFN4O3 and molecular weight 458.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-bromophenoxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
Also Known As: 8-(4-bromophenoxy)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(4-bromophenoxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione, 8-(4-bromophenoxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
| Molecular Formula | C20H16BrFN4O3 |
|---|---|
| Molecular Weight | 458.04 g/mol |
| LogP | 3.1759 |
| Topological Polar Surface Area | 71.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.03897 |
| Heavy Atoms | 29 |
| Complexity | 1321.8331 |
Chemical Identifiers
| CAS Number | 369603-86-1 |
|---|---|
| SMILES | CN1C2=C(N=C1OC3=CC=C(C=C3)Br)N(C(=O)N(C2=O)CC4=CC=C(C=C4)F)C |
Product Overview
8-(4-bromophenoxy)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 369603-86-1), with molecular formula C20H16BrFN4O3 and molecular weight 458.04 g/mol. IUPAC: 8-(4-bromophenoxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-(4-bromophenoxy)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(4-bromophenoxy)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.1759 indicates that 8-(4-bromophenoxy)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-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 8-(4-bromophenoxy)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(4-bromophenoxy)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-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 8-(4-bromophenoxy)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(4-bromophenoxy)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 369603-86-1.
What is the molecular formula of 8-(4-bromophenoxy)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(4-bromophenoxy)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is C20H16BrFN4O3.
What is the molecular weight of 8-(4-bromophenoxy)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(4-bromophenoxy)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 458.04 g/mol.
Where can I buy 8-(4-bromophenoxy)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(4-bromophenoxy)-1-(4-fluorobenzyl)-3,7-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 8-(4-bromophenoxy)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-bromophenoxy)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.