7-(3-bromobenzyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(3-bromobenzyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 313471-54-4) is a chemical compound with molecular formula C18H21BrN6O2 and molecular weight 432.09 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-(4-methylpiperazin-1-yl)purine-2,6-dione
Also Known As: BAS 01122539, 7-(3-bromobenzyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, AB00137711-07, 7-[(3-bromophenyl)methyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione, F0403-0020
| Molecular Formula | C18H21BrN6O2 |
|---|---|
| Molecular Weight | 432.09 g/mol |
| LogP | 0.9859 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 432.09094 |
| Heavy Atoms | 27 |
| Complexity | 1107.2178 |
Chemical Identifiers
| CAS Number | 313471-54-4 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=C(N2CC4=CC(=CC=C4)Br)C(=O)NC(=O)N3C |
Product Overview
7-(3-bromobenzyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 313471-54-4), with molecular formula C18H21BrN6O2 and molecular weight 432.09 g/mol. IUPAC: 7-[(3-bromophenyl)methyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of 7-(3-bromobenzyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(3-bromobenzyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.9859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(3-bromobenzyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-bromobenzyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(3-bromobenzyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-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-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(3-bromobenzyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is 313471-54-4.
What is the molecular formula of 7-(3-bromobenzyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(3-bromobenzyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is C18H21BrN6O2.
What is the molecular weight of 7-(3-bromobenzyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(3-bromobenzyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is 432.09 g/mol.
Where can I buy 7-(3-bromobenzyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(3-bromobenzyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-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-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-bromobenzyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.