7-(2-hydroxy-3-(2,4,6-tribromophenoxy)propyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2-hydroxy-3-(2,4,6-tribromophenoxy)propyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 536719-05-8) is a chemical compound with molecular formula C21H25Br3N6O5 and molecular weight 677.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-(2-hydroxyethyl)piperazin-1-yl]-7-[2-hydroxy-3-(2,4,6-tribromophenoxy)propyl]-3-methylpurine-2,6-dione
Also Known As: 7-(2-hydroxy-3-(2,4,6-tribromophenoxy)propyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-[4-(2-hydroxyethyl)-1-piperazinyl]-7-[2-hydroxy-3-(2,4,6-tribromophenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-[4-(2-hydroxyethyl)piperazin-1-yl]-7-[2-hydroxy-3-(2,4,6-tribromophenoxy)propyl]-3-methylpurine-2,6-dione, 8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-7-[2-hydroxy-3-(2,4,6-tribromophenoxy)propyl]-3-methyl-2-oxo-3,7-dihydro-2H-purin-6-olate
| Molecular Formula | C21H25Br3N6O5 |
|---|---|
| Molecular Weight | 677.94 g/mol |
| LogP | 1.265 |
| Topological Polar Surface Area | 128.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 677.94366 |
| Heavy Atoms | 35 |
| Complexity | 1308.4521 |
Chemical Identifiers
| CAS Number | 536719-05-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CCO)CC(COC4=C(C=C(C=C4Br)Br)Br)O |
Product Overview
7-(2-hydroxy-3-(2,4,6-tribromophenoxy)propyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 536719-05-8), with molecular formula C21H25Br3N6O5 and molecular weight 677.94 g/mol. IUPAC: 8-[4-(2-hydroxyethyl)piperazin-1-yl]-7-[2-hydroxy-3-(2,4,6-tribromophenoxy)propyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-(2-hydroxy-3-(2,4,6-tribromophenoxy)propyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2-hydroxy-3-(2,4,6-tribromophenoxy)propyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.265 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-hydroxy-3-(2,4,6-tribromophenoxy)propyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 128.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-hydroxy-3-(2,4,6-tribromophenoxy)propyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2-hydroxy-3-(2,4,6-tribromophenoxy)propyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-(2-hydroxy-3-(2,4,6-tribromophenoxy)propyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2-hydroxy-3-(2,4,6-tribromophenoxy)propyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 536719-05-8.
What is the molecular formula of 7-(2-hydroxy-3-(2,4,6-tribromophenoxy)propyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2-hydroxy-3-(2,4,6-tribromophenoxy)propyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione is C21H25Br3N6O5.
What is the molecular weight of 7-(2-hydroxy-3-(2,4,6-tribromophenoxy)propyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2-hydroxy-3-(2,4,6-tribromophenoxy)propyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 677.94 g/mol.
Where can I buy 7-(2-hydroxy-3-(2,4,6-tribromophenoxy)propyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2-hydroxy-3-(2,4,6-tribromophenoxy)propyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-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-(2-hydroxy-3-(2,4,6-tribromophenoxy)propyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-hydroxy-3-(2,4,6-tribromophenoxy)propyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.