8-(azepan-1-yl)-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-(azepan-1-yl)-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 324539-16-4) is a chemical compound with molecular formula C19H22BrN5O2 and molecular weight 431.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(azepan-1-yl)-7-[(3-bromophenyl)methyl]-3-methylpurine-2,6-dione
Also Known As: 8-(azepan-1-yl)-7-(3-bromobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-(azepan-1-yl)-7-[(3-bromophenyl)methyl]-3-methyl-purine-2,6-dione, 8-(azepan-1-yl)-7-[(3-bromophenyl)methyl]-3-methylpurine-2,6-dione, 8-(azepan-1-yl)-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C19H22BrN5O2 |
|---|---|
| Molecular Weight | 431.10 g/mol |
| LogP | 2.6145 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 431.0957 |
| Heavy Atoms | 27 |
| Complexity | 1089.6536 |
Chemical Identifiers
| CAS Number | 324539-16-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CC4=CC(=CC=C4)Br |
Product Overview
8-(azepan-1-yl)-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 324539-16-4), with molecular formula C19H22BrN5O2 and molecular weight 431.10 g/mol. IUPAC: 8-(azepan-1-yl)-7-[(3-bromophenyl)methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(azepan-1-yl)-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-(azepan-1-yl)-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.6145 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(azepan-1-yl)-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 75.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(azepan-1-yl)-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(azepan-1-yl)-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione has 1 hydrogen bond donor(s) and 4 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 8-(azepan-1-yl)-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-(azepan-1-yl)-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 324539-16-4.
What is the molecular formula of 8-(azepan-1-yl)-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-(azepan-1-yl)-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C19H22BrN5O2.
What is the molecular weight of 8-(azepan-1-yl)-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-(azepan-1-yl)-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 431.10 g/mol.
Where can I buy 8-(azepan-1-yl)-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-(azepan-1-yl)-7-(3-bromobenzyl)-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 8-(azepan-1-yl)-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(azepan-1-yl)-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.