![1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(2-methylphenoxy)purine-2,6-dione structure](/static/products/369/369603-90-7.png)
1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(2-methylphenoxy)purine-2,6-dione
TL;DR: 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(2-methylphenoxy)purine-2,6-dione (CAS 369603-90-7) is a chemical compound with molecular formula C21H19BrN4O3 and molecular weight 454.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(2-methylphenoxy)purine-2,6-dione
Also Known As: 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(2-methylphenoxy)purine-2,6-dione, 1-(4-bromobenzyl)-3,7-dimethyl-8-(2-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione, 1-(4-bromobenzyl)-3,7-dimethyl-8-(o-tolyloxy)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C21H19BrN4O3 |
|---|---|
| Molecular Weight | 454.06 g/mol |
| LogP | 3.34522 |
| Topological Polar Surface Area | 71.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.06406 |
| Heavy Atoms | 29 |
| Complexity | 1333.2831 |
Chemical Identifiers
| CAS Number | 369603-90-7 |
|---|---|
| SMILES | CC1=CC=CC=C1OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)Br |
Product Overview
1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(2-methylphenoxy)purine-2,6-dione (CAS 369603-90-7), with molecular formula C21H19BrN4O3 and molecular weight 454.06 g/mol. IUPAC: 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(2-methylphenoxy)purine-2,6-dione.
Chemical Property Profile of 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(2-methylphenoxy)purine-2,6-dione
Property Insights of 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(2-methylphenoxy)purine-2,6-dione
The XLogP value of 3.34522 indicates that 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(2-methylphenoxy)purine-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]-3,7-dimethyl-8-(2-methylphenoxy)purine-2,6-dione. Following Lipinski's Rule of Five, 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(2-methylphenoxy)purine-2,6-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 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(2-methylphenoxy)purine-2,6-dione?
The CAS number of 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(2-methylphenoxy)purine-2,6-dione is 369603-90-7.
What is the molecular formula of 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(2-methylphenoxy)purine-2,6-dione?
The molecular formula of 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(2-methylphenoxy)purine-2,6-dione is C21H19BrN4O3.
What is the molecular weight of 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(2-methylphenoxy)purine-2,6-dione?
The molecular weight of 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(2-methylphenoxy)purine-2,6-dione is 454.06 g/mol.
Where can I buy 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(2-methylphenoxy)purine-2,6-dione?
You can request a quote for 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(2-methylphenoxy)purine-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]-3,7-dimethyl-8-(2-methylphenoxy)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(2-methylphenoxy)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.