7-(3-BR-Benzyl)8-(4-(2-HO-ET)-1-piperazinyl)3-ME-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-(3-BR-Benzyl)8-(4-(2-HO-ET)-1-piperazinyl)3-ME-3,7-dihydro-1H-purine-2,6-dione (CAS 476481-01-3) is a chemical compound with molecular formula C19H23BrN6O3 and molecular weight 462.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3-bromophenyl)methyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylpurine-2,6-dione
Also Known As: Salor-int l215546-1ea, 7-(3-bromobenzyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, AB01304302-01, F1352-0008, 7-(3-BR-BENZYL)8-(4-(2-HO-ET)-1-PIPERAZINYL)3-ME-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C19H23BrN6O3 |
|---|---|
| Molecular Weight | 462.10 g/mol |
| LogP | 0.3484 |
| Topological Polar Surface Area | 99.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.1015 |
| Heavy Atoms | 29 |
| Complexity | 1143.0325 |
Chemical Identifiers
| CAS Number | 476481-01-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CCO)CC4=CC(=CC=C4)Br |
Product Overview
7-(3-BR-Benzyl)8-(4-(2-HO-ET)-1-piperazinyl)3-ME-3,7-dihydro-1H-purine-2,6-dione (CAS 476481-01-3), with molecular formula C19H23BrN6O3 and molecular weight 462.10 g/mol. IUPAC: 7-[(3-bromophenyl)methyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-(3-BR-Benzyl)8-(4-(2-HO-ET)-1-piperazinyl)3-ME-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-(3-BR-Benzyl)8-(4-(2-HO-ET)-1-piperazinyl)3-ME-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 0.3484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(3-BR-Benzyl)8-(4-(2-HO-ET)-1-piperazinyl)3-ME-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 99.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-BR-Benzyl)8-(4-(2-HO-ET)-1-piperazinyl)3-ME-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(3-BR-Benzyl)8-(4-(2-HO-ET)-1-piperazinyl)3-ME-3,7-dihydro-1H-purine-2,6-dione has 2 hydrogen bond donor(s) and 6 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-(3-BR-Benzyl)8-(4-(2-HO-ET)-1-piperazinyl)3-ME-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-(3-BR-Benzyl)8-(4-(2-HO-ET)-1-piperazinyl)3-ME-3,7-dihydro-1H-purine-2,6-dione is 476481-01-3.
What is the molecular formula of 7-(3-BR-Benzyl)8-(4-(2-HO-ET)-1-piperazinyl)3-ME-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-(3-BR-Benzyl)8-(4-(2-HO-ET)-1-piperazinyl)3-ME-3,7-dihydro-1H-purine-2,6-dione is C19H23BrN6O3.
What is the molecular weight of 7-(3-BR-Benzyl)8-(4-(2-HO-ET)-1-piperazinyl)3-ME-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-(3-BR-Benzyl)8-(4-(2-HO-ET)-1-piperazinyl)3-ME-3,7-dihydro-1H-purine-2,6-dione is 462.10 g/mol.
Where can I buy 7-(3-BR-Benzyl)8-(4-(2-HO-ET)-1-piperazinyl)3-ME-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-(3-BR-Benzyl)8-(4-(2-HO-ET)-1-piperazinyl)3-ME-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 7-(3-BR-Benzyl)8-(4-(2-HO-ET)-1-piperazinyl)3-ME-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-BR-Benzyl)8-(4-(2-HO-ET)-1-piperazinyl)3-ME-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.