7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 536719-23-0) is a chemical compound with molecular formula C26H30N6O4 and molecular weight 490.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione
Also Known As: 7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione, 6-hydroxy-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-2H-purin-2-one, 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(4-phenyl-1-piperazinyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C26H30N6O4 |
|---|---|
| Molecular Weight | 490.23 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.23285 |
| Heavy Atoms | 36 |
| Complexity | 772.0 |
Chemical Identifiers
| CAS Number | 536719-23-0 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC(CN2C3=C(N=C2N4CCN(CC4)C5=CC=CC=C5)N(C(=O)NC3=O)C)O |
| InChIKey | PUNXNKSVRKIXJL-UHFFFAOYSA-N |
Product Overview
7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 536719-23-0), with molecular formula C26H30N6O4 and molecular weight 490.23 g/mol. IUPAC: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of 7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-8-(4-phenylpiperazin-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-(o-tolyloxy)propyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is 536719-23-0.
What is the molecular formula of 7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is C26H30N6O4.
What is the molecular weight of 7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is 490.23 g/mol.
Where can I buy 7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-8-(4-phenylpiperazin-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-(o-tolyloxy)propyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.