![8-{[benzyl(methyl)amino]methyl}-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/841/841211-41-4.png)
8-{[benzyl(methyl)amino]methyl}-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-{[benzyl(methyl)amino]methyl}-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 841211-41-4) is a chemical compound with molecular formula C23H23ClFN5O2 and molecular weight 455.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[benzyl(methyl)amino]methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 8-{[benzyl(methyl)amino]methyl}-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-{[benzyl(methyl)amino]methyl}-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-[[benzyl(methyl)amino]methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione, 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-{[methylbenzylamino]methyl} -1,3,7-trihydropurine-2,6-dione, 8-((benzyl(methyl)amino)methyl)-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C23H23ClFN5O2 |
|---|---|
| Molecular Weight | 455.15 g/mol |
| LogP | 2.9065 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.15244 |
| Heavy Atoms | 32 |
| Complexity | 1387.9122 |
Chemical Identifiers
| CAS Number | 841211-41-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN(C)CC3=CC=CC=C3)CC4=C(C=CC=C4Cl)F |
Product Overview
8-{[benzyl(methyl)amino]methyl}-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 841211-41-4), with molecular formula C23H23ClFN5O2 and molecular weight 455.15 g/mol. IUPAC: 8-[[benzyl(methyl)amino]methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-{[benzyl(methyl)amino]methyl}-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-{[benzyl(methyl)amino]methyl}-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.9065 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-{[benzyl(methyl)amino]methyl}-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-{[benzyl(methyl)amino]methyl}-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-{[benzyl(methyl)amino]methyl}-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-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-{[benzyl(methyl)amino]methyl}-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-{[benzyl(methyl)amino]methyl}-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 841211-41-4.
What is the molecular formula of 8-{[benzyl(methyl)amino]methyl}-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-{[benzyl(methyl)amino]methyl}-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C23H23ClFN5O2.
What is the molecular weight of 8-{[benzyl(methyl)amino]methyl}-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-{[benzyl(methyl)amino]methyl}-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 455.15 g/mol.
Where can I buy 8-{[benzyl(methyl)amino]methyl}-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-{[benzyl(methyl)amino]methyl}-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-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-{[benzyl(methyl)amino]methyl}-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-{[benzyl(methyl)amino]methyl}-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.