![8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione structure](/static/products/851/851939-39-4.png)
8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 851939-39-4) is a chemical compound with molecular formula C27H30FN5O2 and molecular weight 475.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-[(4-benzyl-1-piperidyl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione, 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-{[4-benzylpiperidyl]methyl}-1,3,7-tr ihydropurine-2,6-dione, 8-((4-benzylpiperidin-1-yl)methyl)-7-(2-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-[(4-benzylpiperidin-1-yl)methyl]-7-(2-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C27H30FN5O2 |
|---|---|
| Molecular Weight | 475.24 g/mol |
| LogP | 3.0758 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.23834 |
| Heavy Atoms | 35 |
| Complexity | 1462.946 |
Chemical Identifiers
| CAS Number | 851939-39-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC(CC3)CC4=CC=CC=C4)CC5=CC=CC=C5F |
Product Overview
8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 851939-39-4), with molecular formula C27H30FN5O2 and molecular weight 475.24 g/mol. IUPAC: 8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 3.0758 indicates that 8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-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 8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 851939-39-4.
What is the molecular formula of 8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C27H30FN5O2.
What is the molecular weight of 8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 475.24 g/mol.
Where can I buy 8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-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 8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.