1,7-dibenzyl-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 1,7-dibenzyl-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione (CAS 114145-33-4) is a chemical compound with molecular formula C25H27N5O2 and molecular weight 429.21646 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,7-dibenzyl-3-methyl-8-piperidin-1-ylpurine-2,6-dione
Also Known As: 1,7-dibenzyl-3-methyl-8-(1-piperidyl)purine-2,6-dione, 1,7-dibenzyl-3-methyl-8-piperidin-1-ylpurine-2,6-dione, 1,7-dibenzyl-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione, 1,7-dibenzyl-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C25H27N5O2 |
| Molecular Weight | 429.21646 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 61.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.21646 Da |
| Heavy Atoms | 32 |
| Complexity | 669.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)N4CCCCC4)CC5=CC=CC=C5 |
| InChIKey | GXSCLEHSRSDWTQ-UHFFFAOYSA-N |
Chemical Property Profile of 1,7-dibenzyl-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 1,7-dibenzyl-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 4.0 indicates that 1,7-dibenzyl-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,7-dibenzyl-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1,7-dibenzyl-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,7-dibenzyl-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 1,7-dibenzyl-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione is 114145-33-4.
What is the molecular formula of 1,7-dibenzyl-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 1,7-dibenzyl-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione is C25H27N5O2.
What is the molecular weight of 1,7-dibenzyl-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 1,7-dibenzyl-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione is 429.21646 g/mol.
Where can I buy 1,7-dibenzyl-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 1,7-dibenzyl-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,7-dibenzyl-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 1,7-dibenzyl-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.