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 429.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C25H27N5O2 |
|---|---|
| Molecular Weight | 429.22 g/mol |
| LogP | 2.9836 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.21646 |
| Heavy Atoms | 32 |
| Complexity | 1346.604 |
Chemical Identifiers
| CAS Number | 114145-33-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)N4CCCCC4)CC5=CC=CC=C5 |
Product Overview
1,7-dibenzyl-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione (CAS 114145-33-4), with molecular formula C25H27N5O2 and molecular weight 429.22 g/mol. IUPAC: 1,7-dibenzyl-3-methyl-8-piperidin-1-ylpurine-2,6-dione.
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 2.9836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,7-dibenzyl-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 65.06 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
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 429.22 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,7-dibenzyl-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO 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.