![7-(3-bromobenzyl)-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/305/305865-57-0.png)
7-(3-bromobenzyl)-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-(3-bromobenzyl)-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 305865-57-0) is a chemical compound with molecular formula C17H20BrN5O3 and molecular weight 421.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3-bromophenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(3-bromobenzyl)-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-(3-bromobenzyl)-8-((3-hydroxypropyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-[(3-bromophenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione, 7-[(3-BROMOPHENYL)METHYL]-8-[(3-HYDROXYPROPYL)AMINO]-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C17H20BrN5O3 |
|---|---|
| Molecular Weight | 421.07 g/mol |
| LogP | 1.0388 |
| Topological Polar Surface Area | 94.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.07495 |
| Heavy Atoms | 26 |
| Complexity | 1066.6711 |
Chemical Identifiers
| CAS Number | 305865-57-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCO)CC3=CC(=CC=C3)Br |
Product Overview
7-(3-bromobenzyl)-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 305865-57-0), with molecular formula C17H20BrN5O3 and molecular weight 421.07 g/mol. IUPAC: 7-[(3-bromophenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(3-bromobenzyl)-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-(3-bromobenzyl)-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.0388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(3-bromobenzyl)-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 94.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-bromobenzyl)-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(3-bromobenzyl)-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-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-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-(3-bromobenzyl)-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 305865-57-0.
What is the molecular formula of 7-(3-bromobenzyl)-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-(3-bromobenzyl)-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C17H20BrN5O3.
What is the molecular weight of 7-(3-bromobenzyl)-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-(3-bromobenzyl)-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 421.07 g/mol.
Where can I buy 7-(3-bromobenzyl)-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-(3-bromobenzyl)-8-[(3-hydroxypropyl)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-(3-bromobenzyl)-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-bromobenzyl)-8-[(3-hydroxypropyl)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.