7-(3-bromobenzyl)-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-(3-bromobenzyl)-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione (CAS 317840-33-8) is a chemical compound with molecular formula C17H18BrN5O3 and molecular weight 419.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3-bromophenyl)methyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione
Also Known As: AB01309014-01, 7-(3-bromobenzyl)-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione, 7-(3-bromobenzyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione, 7-[(3-bromophenyl)methyl]-3-methyl-8-morpholin-4-yl-purine-2,6-dione, 7-[(3-bromophenyl)methyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione
| Molecular Formula | C17H18BrN5O3 |
|---|---|
| Molecular Weight | 419.06 g/mol |
| LogP | 1.0707 |
| Topological Polar Surface Area | 85.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.0593 |
| Heavy Atoms | 26 |
| Complexity | 1078.1724 |
Chemical Identifiers
| CAS Number | 317840-33-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CC4=CC(=CC=C4)Br |
Product Overview
7-(3-bromobenzyl)-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione (CAS 317840-33-8), with molecular formula C17H18BrN5O3 and molecular weight 419.06 g/mol. IUPAC: 7-[(3-bromophenyl)methyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione.
Chemical Property Profile of 7-(3-bromobenzyl)-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-(3-bromobenzyl)-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.0707 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(3-bromobenzyl)-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 85.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-bromobenzyl)-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(3-bromobenzyl)-3-methyl-8-(morpholin-4-yl)-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-(3-bromobenzyl)-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-(3-bromobenzyl)-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione is 317840-33-8.
What is the molecular formula of 7-(3-bromobenzyl)-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-(3-bromobenzyl)-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione is C17H18BrN5O3.
What is the molecular weight of 7-(3-bromobenzyl)-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-(3-bromobenzyl)-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione is 419.06 g/mol.
Where can I buy 7-(3-bromobenzyl)-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-(3-bromobenzyl)-3-methyl-8-(morpholin-4-yl)-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-bromobenzyl)-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-bromobenzyl)-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.