8-Amino-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-Amino-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 476480-91-8) is a chemical compound with molecular formula C13H12BrN5O2 and molecular weight 349.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-amino-7-[(3-bromophenyl)methyl]-3-methylpurine-2,6-dione
Also Known As: SALOR-INT L215368-1EA, 8-Amino-7-(3-bromobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-AMINO-7-(3-BROMOBENZYL)-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 8-amino-7-(3-bromobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one, 8-amino-7-[(3-bromophenyl)methyl]-3-methylpurine-2,6-dione
| Molecular Formula | C13H12BrN5O2 |
|---|---|
| Molecular Weight | 349.02 g/mol |
| LogP | 0.8163 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.01743 |
| Heavy Atoms | 21 |
| Complexity | 953.3305 |
Chemical Identifiers
| CAS Number | 476480-91-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N)CC3=CC(=CC=C3)Br |
Product Overview
8-Amino-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 476480-91-8), with molecular formula C13H12BrN5O2 and molecular weight 349.02 g/mol. IUPAC: 8-amino-7-[(3-bromophenyl)methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-Amino-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-Amino-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 0.8163 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Amino-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Amino-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-Amino-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione has 2 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-Amino-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-Amino-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 476480-91-8.
What is the molecular formula of 8-Amino-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-Amino-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C13H12BrN5O2.
What is the molecular weight of 8-Amino-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-Amino-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 349.02 g/mol.
Where can I buy 8-Amino-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-Amino-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-Amino-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Amino-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.