7-(3-(4-bromophenoxy)-2-hydroxypropyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(3-(4-bromophenoxy)-2-hydroxypropyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 536719-04-7) is a chemical compound with molecular formula C21H27BrN6O5 and molecular weight 522.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(4-bromophenoxy)-2-hydroxypropyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylpurine-2,6-dione
Also Known As: 7-(3-(4-bromophenoxy)-2-hydroxypropyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, F1144-0108, 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylpurine-2,6-dione, 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-6-hydroxy-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-3,7-dihydro-2H-purin-2-one, 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-8-[4-(2-hydroxyethyl)-1-piperazinyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C21H27BrN6O5 |
|---|---|
| Molecular Weight | 522.12 g/mol |
| LogP | -0.26 |
| Topological Polar Surface Area | 128.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 522.1226 |
| Heavy Atoms | 33 |
| Complexity | 1212.8387 |
Chemical Identifiers
| CAS Number | 536719-04-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CCO)CC(COC4=CC=C(C=C4)Br)O |
Product Overview
7-(3-(4-bromophenoxy)-2-hydroxypropyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 536719-04-7), with molecular formula C21H27BrN6O5 and molecular weight 522.12 g/mol. IUPAC: 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-(3-(4-bromophenoxy)-2-hydroxypropyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(3-(4-bromophenoxy)-2-hydroxypropyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of -0.26 indicates that 7-(3-(4-bromophenoxy)-2-hydroxypropyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 128.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-(4-bromophenoxy)-2-hydroxypropyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(3-(4-bromophenoxy)-2-hydroxypropyl)-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-(3-(4-bromophenoxy)-2-hydroxypropyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(3-(4-bromophenoxy)-2-hydroxypropyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 536719-04-7.
What is the molecular formula of 7-(3-(4-bromophenoxy)-2-hydroxypropyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(3-(4-bromophenoxy)-2-hydroxypropyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione is C21H27BrN6O5.
What is the molecular weight of 7-(3-(4-bromophenoxy)-2-hydroxypropyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(3-(4-bromophenoxy)-2-hydroxypropyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 522.12 g/mol.
Where can I buy 7-(3-(4-bromophenoxy)-2-hydroxypropyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(3-(4-bromophenoxy)-2-hydroxypropyl)-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-(3-(4-bromophenoxy)-2-hydroxypropyl)-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-(3-(4-bromophenoxy)-2-hydroxypropyl)-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.