7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 850731-79-2) is a chemical compound with molecular formula C20H26N6O4 and molecular weight 414.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione
Also Known As: 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, 7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione, 7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione, 6-hydroxy-7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-(piperazin-1-yl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C20H26N6O4 |
|---|---|
| Molecular Weight | 414.20 g/mol |
| LogP | -0.41878 |
| Topological Polar Surface Area | 117.41 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.20154 |
| Heavy Atoms | 30 |
| Complexity | 1141.0436 |
Chemical Identifiers
| CAS Number | 850731-79-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC(CN2C3=C(N=C2N4CCNCC4)N(C(=O)NC3=O)C)O |
Product Overview
7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 850731-79-2), with molecular formula C20H26N6O4 and molecular weight 414.20 g/mol. IUPAC: 7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione.
Chemical Property Profile of 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of -0.41878 indicates that 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione has 3 hydrogen bond donor(s) and 7 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-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is 850731-79-2.
What is the molecular formula of 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is C20H26N6O4.
What is the molecular weight of 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is 414.20 g/mol.
Where can I buy 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-(piperazin-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-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.