8-(4-benzylpiperidin-1-yl)-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(4-benzylpiperidin-1-yl)-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 368840-95-3) is a chemical compound with molecular formula C26H27ClFN5O2 and molecular weight 495.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-benzylpiperidin-1-yl)-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 8-(4-benzylpiperidin-1-yl)-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(4-benzyl-1-piperidyl)-7-[(2-chloro-6-fluoro-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione, 8-(4-benzylpiperidin-1-yl)-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-(4-benzylpiperidin-1-yl)-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C26H27ClFN5O2 |
|---|---|
| Molecular Weight | 495.18 g/mol |
| LogP | 3.7336 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.18372 |
| Heavy Atoms | 35 |
| Complexity | 1480.1886 |
Chemical Identifiers
| CAS Number | 368840-95-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CC5=C(C=CC=C5Cl)F |
Product Overview
8-(4-benzylpiperidin-1-yl)-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 368840-95-3), with molecular formula C26H27ClFN5O2 and molecular weight 495.18 g/mol. IUPAC: 8-(4-benzylpiperidin-1-yl)-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-(4-benzylpiperidin-1-yl)-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(4-benzylpiperidin-1-yl)-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.7336 indicates that 8-(4-benzylpiperidin-1-yl)-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-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)-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(4-benzylpiperidin-1-yl)-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-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)-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(4-benzylpiperidin-1-yl)-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 368840-95-3.
What is the molecular formula of 8-(4-benzylpiperidin-1-yl)-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(4-benzylpiperidin-1-yl)-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C26H27ClFN5O2.
What is the molecular weight of 8-(4-benzylpiperidin-1-yl)-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(4-benzylpiperidin-1-yl)-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 495.18 g/mol.
Where can I buy 8-(4-benzylpiperidin-1-yl)-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(4-benzylpiperidin-1-yl)-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-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)-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-benzylpiperidin-1-yl)-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.