1-benzyl-8-bromo-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 1-benzyl-8-bromo-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 331840-00-7) is a chemical compound with molecular formula C20H16BrClN4O2 and molecular weight 458.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-8-bromo-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione
Also Known As: BAS 00619090, 1-benzyl-8-bromo-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 1-benzyl-8-bromo-7-(4-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 1-benzyl-8-bromo-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione, F0373-0954
| Molecular Formula | C20H16BrClN4O2 |
|---|---|
| Molecular Weight | 458.01 g/mol |
| LogP | 3.4092 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.01453 |
| Heavy Atoms | 28 |
| Complexity | 1274.2926 |
Chemical Identifiers
| CAS Number | 331840-00-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)Br)CC4=CC=C(C=C4)Cl |
Product Overview
1-benzyl-8-bromo-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 331840-00-7), with molecular formula C20H16BrClN4O2 and molecular weight 458.01 g/mol. IUPAC: 1-benzyl-8-bromo-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 1-benzyl-8-bromo-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 1-benzyl-8-bromo-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 3.4092 indicates that 1-benzyl-8-bromo-7-(4-chlorobenzyl)-3-methyl-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-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1-benzyl-8-bromo-7-(4-chlorobenzyl)-3-methyl-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-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 1-benzyl-8-bromo-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 331840-00-7.
What is the molecular formula of 1-benzyl-8-bromo-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 1-benzyl-8-bromo-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C20H16BrClN4O2.
What is the molecular weight of 1-benzyl-8-bromo-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 1-benzyl-8-bromo-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 458.01 g/mol.
Where can I buy 1-benzyl-8-bromo-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 1-benzyl-8-bromo-7-(4-chlorobenzyl)-3-methyl-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-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-8-bromo-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.