7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 868146-67-2) is a chemical compound with molecular formula C21H28N6O4 and molecular weight 428.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
Also Known As: 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, F1687-0176, 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione, 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-(4-methylpiperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C21H28N6O4 |
|---|---|
| Molecular Weight | 428.22 g/mol |
| LogP | -0.07658 |
| Topological Polar Surface Area | 108.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.2172 |
| Heavy Atoms | 31 |
| Complexity | 1188.7786 |
Chemical Identifiers
| CAS Number | 868146-67-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2N4CCN(CC4)C)N(C(=O)NC3=O)C)O |
Product Overview
7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 868146-67-2), with molecular formula C21H28N6O4 and molecular weight 428.22 g/mol. IUPAC: 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of -0.07658 indicates that 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-(4-methylpiperazin-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 108.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione has 2 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-(m-tolyloxy)propyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is 868146-67-2.
What is the molecular formula of 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is C21H28N6O4.
What is the molecular weight of 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is 428.22 g/mol.
Where can I buy 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2-hydroxy-3-(m-tolyloxy)propyl)-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-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-hydroxy-3-(m-tolyloxy)propyl)-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.