8-(benzyl(methyl)amino)-7-(3-chlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(benzyl(methyl)amino)-7-(3-chlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 575471-38-4) is a chemical compound with molecular formula C22H22ClN5O2 and molecular weight 423.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[benzyl(methyl)amino]-7-[(3-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 8-(benzyl(methyl)amino)-7-(3-chlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(benzyl-methyl-amino)-7-[(3-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione, 8-[benzyl(methyl)amino]-7-(3-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-[benzyl(methyl)amino]-7-[(3-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C22H22ClN5O2 |
|---|---|
| Molecular Weight | 423.15 g/mol |
| LogP | 2.7718 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.1462 |
| Heavy Atoms | 30 |
| Complexity | 1337.6396 |
Chemical Identifiers
| CAS Number | 575471-38-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)CC3=CC=CC=C3)CC4=CC(=CC=C4)Cl |
Product Overview
8-(benzyl(methyl)amino)-7-(3-chlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 575471-38-4), with molecular formula C22H22ClN5O2 and molecular weight 423.15 g/mol. IUPAC: 8-[benzyl(methyl)amino]-7-[(3-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-(benzyl(methyl)amino)-7-(3-chlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(benzyl(methyl)amino)-7-(3-chlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.7718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(benzyl(methyl)amino)-7-(3-chlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(benzyl(methyl)amino)-7-(3-chlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(benzyl(methyl)amino)-7-(3-chlorobenzyl)-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-(benzyl(methyl)amino)-7-(3-chlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(benzyl(methyl)amino)-7-(3-chlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 575471-38-4.
What is the molecular formula of 8-(benzyl(methyl)amino)-7-(3-chlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(benzyl(methyl)amino)-7-(3-chlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C22H22ClN5O2.
What is the molecular weight of 8-(benzyl(methyl)amino)-7-(3-chlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(benzyl(methyl)amino)-7-(3-chlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 423.15 g/mol.
Where can I buy 8-(benzyl(methyl)amino)-7-(3-chlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(benzyl(methyl)amino)-7-(3-chlorobenzyl)-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-(benzyl(methyl)amino)-7-(3-chlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(benzyl(methyl)amino)-7-(3-chlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.