![7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione structure](/static/products/587/587002-67-3.png)
7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione
TL;DR: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione (CAS 587002-67-3) is a chemical compound with molecular formula C21H27BrN6O3 and molecular weight 490.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione
Also Known As: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione, 7-(3-bromobenzyl)-1,3-dimethyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione, 7-(3-bromobenzyl)-1,3-dimethyl-8-{[3-(morpholin-4-yl)propyl]amino}-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C21H27BrN6O3 |
|---|---|
| Molecular Weight | 490.13 g/mol |
| LogP | 1.3787 |
| Topological Polar Surface Area | 86.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.1328 |
| Heavy Atoms | 31 |
| Complexity | 1192.2688 |
Chemical Identifiers
| CAS Number | 587002-67-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCN3CCOCC3)CC4=CC(=CC=C4)Br |
Product Overview
7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione (CAS 587002-67-3), with molecular formula C21H27BrN6O3 and molecular weight 490.13 g/mol. IUPAC: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione.
Chemical Property Profile of 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione
Property Insights of 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione
The XLogP value of 1.3787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione. The TPSA of 86.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione. Following Lipinski's Rule of Five, 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione has 1 hydrogen bond donor(s) and 6 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-bromophenyl)methyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione?
The CAS number of 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione is 587002-67-3.
What is the molecular formula of 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione?
The molecular formula of 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione is C21H27BrN6O3.
What is the molecular weight of 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione?
The molecular weight of 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione is 490.13 g/mol.
Where can I buy 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione?
You can request a quote for 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)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-bromophenyl)methyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.