1-Benzyl-8-bromo-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 1-Benzyl-8-bromo-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 332905-07-4) is a chemical compound with molecular formula C21H19BrN4O2 and molecular weight 438.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-8-bromo-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
Also Known As: SALOR-INT L248576-1EA, BAS 01541685, 1-benzyl-8-bromo-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione, 1-Benzyl-8-bromo-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione, 1-benzyl-8-bromo-3-methyl-7-[(4-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C21H19BrN4O2 |
|---|---|
| Molecular Weight | 438.07 g/mol |
| LogP | 3.06422 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.06915 |
| Heavy Atoms | 28 |
| Complexity | 1268.4924 |
Chemical Identifiers
| CAS Number | 332905-07-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2Br)N(C(=O)N(C3=O)CC4=CC=CC=C4)C |
Product Overview
1-Benzyl-8-bromo-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 332905-07-4), with molecular formula C21H19BrN4O2 and molecular weight 438.07 g/mol. IUPAC: 1-benzyl-8-bromo-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione.
Chemical Property Profile of 1-Benzyl-8-bromo-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 1-Benzyl-8-bromo-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 3.06422 indicates that 1-Benzyl-8-bromo-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-8-bromo-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1-Benzyl-8-bromo-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione has 0 hydrogen bond donor(s) and 3 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-Benzyl-8-bromo-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 1-Benzyl-8-bromo-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione is 332905-07-4.
What is the molecular formula of 1-Benzyl-8-bromo-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 1-Benzyl-8-bromo-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione is C21H19BrN4O2.
What is the molecular weight of 1-Benzyl-8-bromo-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 1-Benzyl-8-bromo-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione is 438.07 g/mol.
Where can I buy 1-Benzyl-8-bromo-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 1-Benzyl-8-bromo-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-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-Benzyl-8-bromo-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-8-bromo-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.