8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 862489-83-6) is a chemical compound with molecular formula C22H30N6O4 and molecular weight 442.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-ethylpiperazin-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione
Also Known As: 8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, F1687-0177, 8-(4-ethylpiperazin-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione, 8-(4-ethylpiperazin-1-yl)-6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-3,7-dihydro-2H-purin-2-one, 8-(4-ethylpiperazin-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-purine-2,6-dione
| Molecular Formula | C22H30N6O4 |
|---|---|
| Molecular Weight | 442.23 g/mol |
| LogP | 0.31352 |
| Topological Polar Surface Area | 108.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.23285 |
| Heavy Atoms | 32 |
| Complexity | 1205.3319 |
Chemical Identifiers
| CAS Number | 862489-83-6 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=NC3=C(N2CC(COC4=CC=CC(=C4)C)O)C(=O)NC(=O)N3C |
Product Overview
8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 862489-83-6), with molecular formula C22H30N6O4 and molecular weight 442.23 g/mol. IUPAC: 8-(4-ethylpiperazin-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.31352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 108.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-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 8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 862489-83-6.
What is the molecular formula of 8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is C22H30N6O4.
What is the molecular weight of 8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 442.23 g/mol.
Where can I buy 8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-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 8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.