![7-(4-bromobenzyl)-8-[(3-ethoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/577/577998-40-4.png)
7-(4-bromobenzyl)-8-[(3-ethoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-(4-bromobenzyl)-8-[(3-ethoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 577998-40-4) is a chemical compound with molecular formula C19H24BrN5O3 and molecular weight 449.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-bromophenyl)methyl]-8-(3-ethoxypropylamino)-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(4-bromobenzyl)-8-[(3-ethoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-(4-bromobenzyl)-8-((3-ethoxypropyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-[(4-bromophenyl)methyl]-8-(3-ethoxypropylamino)-1,3-dimethyl-purine-2,6-dione, 7-[(4-bromophenyl)methyl]-8-(3-ethoxypropylamino)-1,3-dimethylpurine-2,6-dione, 7-[(4-bromophenyl)methyl]-8-[(3-ethoxypropyl)amino]-1,3-dimethyl-1,3,7-trihydr opurine-2,6-dione
| Molecular Formula | C19H24BrN5O3 |
|---|---|
| Molecular Weight | 449.11 g/mol |
| LogP | 2.083 |
| Topological Polar Surface Area | 83.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 449.10626 |
| Heavy Atoms | 28 |
| Complexity | 1082.1178 |
Chemical Identifiers
| CAS Number | 577998-40-4 |
|---|---|
| SMILES | CCOCCCNC1=NC2=C(N1CC3=CC=C(C=C3)Br)C(=O)N(C(=O)N2C)C |
Product Overview
7-(4-bromobenzyl)-8-[(3-ethoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 577998-40-4), with molecular formula C19H24BrN5O3 and molecular weight 449.11 g/mol. IUPAC: 7-[(4-bromophenyl)methyl]-8-(3-ethoxypropylamino)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(4-bromobenzyl)-8-[(3-ethoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-(4-bromobenzyl)-8-[(3-ethoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.083 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(4-bromobenzyl)-8-[(3-ethoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 83.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-bromobenzyl)-8-[(3-ethoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(4-bromobenzyl)-8-[(3-ethoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione has 1 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-(4-bromobenzyl)-8-[(3-ethoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-(4-bromobenzyl)-8-[(3-ethoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 577998-40-4.
What is the molecular formula of 7-(4-bromobenzyl)-8-[(3-ethoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-(4-bromobenzyl)-8-[(3-ethoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C19H24BrN5O3.
What is the molecular weight of 7-(4-bromobenzyl)-8-[(3-ethoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-(4-bromobenzyl)-8-[(3-ethoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 449.11 g/mol.
Where can I buy 7-(4-bromobenzyl)-8-[(3-ethoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-(4-bromobenzyl)-8-[(3-ethoxypropyl)amino]-1,3-dimethyl-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-(4-bromobenzyl)-8-[(3-ethoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-bromobenzyl)-8-[(3-ethoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.