7-(3-bromobenzyl)-8-((2-(diethylamino)ethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(3-bromobenzyl)-8-((2-(diethylamino)ethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 536718-74-8) is a chemical compound with molecular formula C19H25BrN6O2 and molecular weight 448.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3-bromophenyl)methyl]-8-[2-(diethylamino)ethylamino]-3-methylpurine-2,6-dione
Also Known As: 7-(3-bromobenzyl)-8-((2-(diethylamino)ethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione, F1144-0058, 7-[(3-bromophenyl)methyl]-8-[2-(diethylamino)ethylamino]-3-methylpurine-2,6-dione, 7-[(3-bromophenyl)methyl]-8-{[2-(diethylamino)ethyl]amino}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-(3-BR-BENZYL)8-((2-(DIETHYLAMINO)ET)AMINO)3-ME-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C19H25BrN6O2 |
|---|---|
| Molecular Weight | 448.12 g/mol |
| LogP | 1.9878 |
| Topological Polar Surface Area | 87.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 448.12225 |
| Heavy Atoms | 28 |
| Complexity | 1080.1979 |
Chemical Identifiers
| CAS Number | 536718-74-8 |
|---|---|
| SMILES | CCN(CC)CCNC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C |
Product Overview
7-(3-bromobenzyl)-8-((2-(diethylamino)ethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 536718-74-8), with molecular formula C19H25BrN6O2 and molecular weight 448.12 g/mol. IUPAC: 7-[(3-bromophenyl)methyl]-8-[2-(diethylamino)ethylamino]-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-(3-bromobenzyl)-8-((2-(diethylamino)ethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(3-bromobenzyl)-8-((2-(diethylamino)ethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.9878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(3-bromobenzyl)-8-((2-(diethylamino)ethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 87.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-bromobenzyl)-8-((2-(diethylamino)ethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(3-bromobenzyl)-8-((2-(diethylamino)ethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione has 2 hydrogen bond donor(s) and 5 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-bromobenzyl)-8-((2-(diethylamino)ethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(3-bromobenzyl)-8-((2-(diethylamino)ethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione is 536718-74-8.
What is the molecular formula of 7-(3-bromobenzyl)-8-((2-(diethylamino)ethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(3-bromobenzyl)-8-((2-(diethylamino)ethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione is C19H25BrN6O2.
What is the molecular weight of 7-(3-bromobenzyl)-8-((2-(diethylamino)ethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(3-bromobenzyl)-8-((2-(diethylamino)ethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione is 448.12 g/mol.
Where can I buy 7-(3-bromobenzyl)-8-((2-(diethylamino)ethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(3-bromobenzyl)-8-((2-(diethylamino)ethyl)amino)-3-methyl-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 7-(3-bromobenzyl)-8-((2-(diethylamino)ethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-bromobenzyl)-8-((2-(diethylamino)ethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.