8-(4-benzyl-1-piperidyl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione
TL;DR: 8-(4-benzyl-1-piperidyl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione (CAS 877794-06-4) is a chemical compound with molecular formula C22H29N5O2 and molecular weight 395.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-benzylpiperidin-1-yl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione
Also Known As: 8-(4-benzyl-1-piperidyl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione, 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione, 8-(4-benzylpiperidin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-(4-benzylpiperidin-1-yl)-6-hydroxy-3-methyl-7-(2-methylpropyl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C22H29N5O2 |
|---|---|
| Molecular Weight | 395.23 g/mol |
| LogP | 2.5384 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.23212 |
| Heavy Atoms | 29 |
| Complexity | 1101.9185 |
Chemical Identifiers
| CAS Number | 877794-06-4 |
|---|---|
| SMILES | CC(C)CN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C |
Product Overview
8-(4-benzyl-1-piperidyl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione (CAS 877794-06-4), with molecular formula C22H29N5O2 and molecular weight 395.23 g/mol. IUPAC: 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione.
Chemical Property Profile of 8-(4-benzyl-1-piperidyl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione
Property Insights of 8-(4-benzyl-1-piperidyl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione
The XLogP value of 2.5384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(4-benzyl-1-piperidyl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione. The TPSA of 75.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-benzyl-1-piperidyl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione. Following Lipinski's Rule of Five, 8-(4-benzyl-1-piperidyl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione has 1 hydrogen bond donor(s) and 4 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-benzyl-1-piperidyl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione?
The CAS number of 8-(4-benzyl-1-piperidyl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione is 877794-06-4.
What is the molecular formula of 8-(4-benzyl-1-piperidyl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione?
The molecular formula of 8-(4-benzyl-1-piperidyl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione is C22H29N5O2.
What is the molecular weight of 8-(4-benzyl-1-piperidyl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione?
The molecular weight of 8-(4-benzyl-1-piperidyl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione is 395.23 g/mol.
Where can I buy 8-(4-benzyl-1-piperidyl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione?
You can request a quote for 8-(4-benzyl-1-piperidyl)-3-methyl-7-(2-methylpropyl)purine-2,6-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-benzyl-1-piperidyl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-benzyl-1-piperidyl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.