8-((4-chlorobenzyl)amino)-7-(2-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((4-chlorobenzyl)amino)-7-(2-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 305864-97-5) is a chemical compound with molecular formula C21H19ClFN5O2 and molecular weight 427.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(4-chlorophenyl)methylamino]-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 8-((4-chlorobenzyl)amino)-7-(2-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-[(4-chlorophenyl)methylamino]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione, 8-[(4-chlorophenyl)methylamino]-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione, 8-[(4-chlorobenzyl)amino]-7-(2-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C21H19ClFN5O2 |
|---|---|
| Molecular Weight | 427.12 g/mol |
| LogP | 2.8866 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.12112 |
| Heavy Atoms | 30 |
| Complexity | 1355.0675 |
Chemical Identifiers
| CAS Number | 305864-97-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=C(C=C3)Cl)CC4=CC=CC=C4F |
Product Overview
8-((4-chlorobenzyl)amino)-7-(2-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 305864-97-5), with molecular formula C21H19ClFN5O2 and molecular weight 427.12 g/mol. IUPAC: 8-[(4-chlorophenyl)methylamino]-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-((4-chlorobenzyl)amino)-7-(2-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((4-chlorobenzyl)amino)-7-(2-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.8866 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((4-chlorobenzyl)amino)-7-(2-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((4-chlorobenzyl)amino)-7-(2-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((4-chlorobenzyl)amino)-7-(2-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-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-chlorobenzyl)amino)-7-(2-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((4-chlorobenzyl)amino)-7-(2-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 305864-97-5.
What is the molecular formula of 8-((4-chlorobenzyl)amino)-7-(2-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((4-chlorobenzyl)amino)-7-(2-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C21H19ClFN5O2.
What is the molecular weight of 8-((4-chlorobenzyl)amino)-7-(2-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((4-chlorobenzyl)amino)-7-(2-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 427.12 g/mol.
Where can I buy 8-((4-chlorobenzyl)amino)-7-(2-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((4-chlorobenzyl)amino)-7-(2-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-chlorobenzyl)amino)-7-(2-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((4-chlorobenzyl)amino)-7-(2-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.