TL;DR: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)-3-(2-methylpropyl)- (CAS 110480-48-3) is a chemical compound with molecular formula C28H34N6O2 and molecular weight 486.27432 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-3-(2-methylpropyl)-7H-purine-2,6-dione
Also Known As: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)-3-(2-methylpropyl)-, 1H-Purine-2,6-dione, 8-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)-3,7-dihydro-3-(2-methypropyl)-, 8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-3-(2-methylpropyl)-7H-purine-2,6-dione, 8-{2-[4-(Diphenylmethyl)piperazin-1-yl]ethyl}-3-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione, BRN 5676668
| Molecular Formula | C28H34N6O2 |
| Molecular Weight | 486.27432 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 84.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 486.27432 Da |
| Heavy Atoms | 36 |
| Complexity | 724.0 |
| SMILES | CC(C)CN1C2=C(C(=O)NC1=O)NC(=N2)CCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | OFTYABSMBCGOHH-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)-3-(2-methylpropyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)-3-(2-methylpropyl)-. Following Lipinski's Rule of Five, 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)-3-(2-methylpropyl)- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)-3-(2-methylpropyl)- is 110480-48-3.
The molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)-3-(2-methylpropyl)- is C28H34N6O2.
The molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)-3-(2-methylpropyl)- is 486.27432 g/mol.
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