![8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione structure](/static/products/5779/577982-27-5.webp)
8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 577982-27-5) is a chemical compound with molecular formula C26H28ClFN6O2 and molecular weight 510.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-[(4-benzylpiperazin-1-yl)methyl]-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione, 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-{[4-benzylpiperazinyl]methy l}-1,3,7-trihydropurine-2,6-dione, 8-((4-benzylpiperazin-1-yl)methyl)-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C26H28ClFN6O2 |
|---|---|
| Molecular Weight | 510.19 g/mol |
| LogP | 2.5923 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 510.19464 |
| Heavy Atoms | 36 |
| Complexity | 1499.4573 |
Chemical Identifiers
| CAS Number | 577982-27-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)CC4=CC=CC=C4)CC5=C(C=CC=C5Cl)F |
Product Overview
8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 577982-27-5), with molecular formula C26H28ClFN6O2 and molecular weight 510.19 g/mol. IUPAC: 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 2.5923 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 577982-27-5.
What is the molecular formula of 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C26H28ClFN6O2.
What is the molecular weight of 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 510.19 g/mol.
Where can I buy 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2-chloro-6-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-benzylpiperazin-1-yl)methyl]-7-[(2-chloro-6-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-benzylpiperazin-1-yl)methyl]-7-[(2-chloro-6-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.