7-(2-chloro-6-fluorobenzyl)-8-((2-chlorobenzyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2-chloro-6-fluorobenzyl)-8-((2-chlorobenzyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 305863-90-5) is a chemical compound with molecular formula C21H18Cl2FN5O2 and molecular weight 461.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chloro-6-fluorophenyl)methyl]-8-[(2-chlorophenyl)methylamino]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(2-chloro-6-fluorobenzyl)-8-((2-chlorobenzyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-[(2-chloro-6-fluoro-phenyl)methyl]-8-[(2-chlorophenyl)methylamino]-1,3-dimethyl-purine-2,6-dione, 7-[(2-chloro-6-fluorophenyl)methyl]-8-[(2-chlorophenyl)methylamino]-1,3-dimethylpurine-2,6-dione, 8-[(2-chlorobenzyl)amino]-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C21H18Cl2FN5O2 |
|---|---|
| Molecular Weight | 461.08 g/mol |
| LogP | 3.54 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.08215 |
| Heavy Atoms | 31 |
| Complexity | 1403.7906 |
Chemical Identifiers
| CAS Number | 305863-90-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3Cl)CC4=C(C=CC=C4Cl)F |
Product Overview
7-(2-chloro-6-fluorobenzyl)-8-((2-chlorobenzyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 305863-90-5), with molecular formula C21H18Cl2FN5O2 and molecular weight 461.08 g/mol. IUPAC: 7-[(2-chloro-6-fluorophenyl)methyl]-8-[(2-chlorophenyl)methylamino]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(2-chloro-6-fluorobenzyl)-8-((2-chlorobenzyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2-chloro-6-fluorobenzyl)-8-((2-chlorobenzyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.54 indicates that 7-(2-chloro-6-fluorobenzyl)-8-((2-chlorobenzyl)amino)-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 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-chloro-6-fluorobenzyl)-8-((2-chlorobenzyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2-chloro-6-fluorobenzyl)-8-((2-chlorobenzyl)amino)-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 7-(2-chloro-6-fluorobenzyl)-8-((2-chlorobenzyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2-chloro-6-fluorobenzyl)-8-((2-chlorobenzyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 305863-90-5.
What is the molecular formula of 7-(2-chloro-6-fluorobenzyl)-8-((2-chlorobenzyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2-chloro-6-fluorobenzyl)-8-((2-chlorobenzyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C21H18Cl2FN5O2.
What is the molecular weight of 7-(2-chloro-6-fluorobenzyl)-8-((2-chlorobenzyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2-chloro-6-fluorobenzyl)-8-((2-chlorobenzyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 461.08 g/mol.
Where can I buy 7-(2-chloro-6-fluorobenzyl)-8-((2-chlorobenzyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2-chloro-6-fluorobenzyl)-8-((2-chlorobenzyl)amino)-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 7-(2-chloro-6-fluorobenzyl)-8-((2-chlorobenzyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-chloro-6-fluorobenzyl)-8-((2-chlorobenzyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.