8-(4-Benzylpiperidin-1-yl)-3-methyl-7-pentylpurine-2,6-dione
TL;DR: 8-(4-Benzylpiperidin-1-yl)-3-methyl-7-pentylpurine-2,6-dione (CAS 674364-76-2) is a chemical compound with molecular formula C23H31N5O2 and molecular weight 409.25 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-pentylpurine-2,6-dione
Also Known As: 7-amyl-8-(4-benzylpiperidino)-3-methyl-xanthine, 8-(4-benzylpiperidin-1-yl)-3-methyl-7-pentylpurine-2,6-dione, 8-(4-benzylpiperidin-1-yl)-3-methyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 3-methyl-7-pentyl-8-[4-(phenylmethyl)-1-piperidinyl]purine-2,6-dione, 3-methyl-7-pentyl-8-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-dione
| Molecular Formula | C23H31N5O2 |
|---|---|
| Molecular Weight | 409.25 g/mol |
| LogP | 3.0726 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.24777 |
| Heavy Atoms | 30 |
| Complexity | 1104.3093 |
Chemical Identifiers
| CAS Number | 674364-76-2 |
|---|---|
| SMILES | CCCCCN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C |
Product Overview
8-(4-Benzylpiperidin-1-yl)-3-methyl-7-pentylpurine-2,6-dione (CAS 674364-76-2), with molecular formula C23H31N5O2 and molecular weight 409.25 g/mol. IUPAC: 8-(4-benzylpiperidin-1-yl)-3-methyl-7-pentylpurine-2,6-dione.
Chemical Property Profile of 8-(4-Benzylpiperidin-1-yl)-3-methyl-7-pentylpurine-2,6-dione
Property Insights of 8-(4-Benzylpiperidin-1-yl)-3-methyl-7-pentylpurine-2,6-dione
The XLogP value of 3.0726 indicates that 8-(4-Benzylpiperidin-1-yl)-3-methyl-7-pentylpurine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-Benzylpiperidin-1-yl)-3-methyl-7-pentylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-(4-Benzylpiperidin-1-yl)-3-methyl-7-pentylpurine-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-Benzylpiperidin-1-yl)-3-methyl-7-pentylpurine-2,6-dione?
The CAS number of 8-(4-Benzylpiperidin-1-yl)-3-methyl-7-pentylpurine-2,6-dione is 674364-76-2.
What is the molecular formula of 8-(4-Benzylpiperidin-1-yl)-3-methyl-7-pentylpurine-2,6-dione?
The molecular formula of 8-(4-Benzylpiperidin-1-yl)-3-methyl-7-pentylpurine-2,6-dione is C23H31N5O2.
What is the molecular weight of 8-(4-Benzylpiperidin-1-yl)-3-methyl-7-pentylpurine-2,6-dione?
The molecular weight of 8-(4-Benzylpiperidin-1-yl)-3-methyl-7-pentylpurine-2,6-dione is 409.25 g/mol.
Where can I buy 8-(4-Benzylpiperidin-1-yl)-3-methyl-7-pentylpurine-2,6-dione?
You can request a quote for 8-(4-Benzylpiperidin-1-yl)-3-methyl-7-pentylpurine-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-Benzylpiperidin-1-yl)-3-methyl-7-pentylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-Benzylpiperidin-1-yl)-3-methyl-7-pentylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.