8-(benzyl(methyl)amino)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(benzyl(methyl)amino)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 840495-25-2) 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]-1-[(4-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
Also Known As: 8-(benzyl(methyl)amino)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, F3260-0331, 8-[benzyl(methyl)amino]-1-[(4-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione, 8-[benzyl(methyl)amino]-1-[(4-chlorophenyl)methyl]-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(benzyl-methyl-amino)-1-[(4-chlorophenyl)methyl]-3,7-dimethyl-purine-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 | 1320.3896 |
Chemical Identifiers
| CAS Number | 840495-25-2 |
|---|---|
| SMILES | CN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Cl)C |
Product Overview
8-(benzyl(methyl)amino)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 840495-25-2), with molecular formula C22H22ClN5O2 and molecular weight 423.15 g/mol. IUPAC: 8-[benzyl(methyl)amino]-1-[(4-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-(benzyl(methyl)amino)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(benzyl(methyl)amino)-1-(4-chlorobenzyl)-3,7-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)-1-(4-chlorobenzyl)-3,7-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)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(benzyl(methyl)amino)-1-(4-chlorobenzyl)-3,7-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)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(benzyl(methyl)amino)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 840495-25-2.
What is the molecular formula of 8-(benzyl(methyl)amino)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(benzyl(methyl)amino)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is C22H22ClN5O2.
What is the molecular weight of 8-(benzyl(methyl)amino)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(benzyl(methyl)amino)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 423.15 g/mol.
Where can I buy 8-(benzyl(methyl)amino)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(benzyl(methyl)amino)-1-(4-chlorobenzyl)-3,7-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)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(benzyl(methyl)amino)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.