8-((2-chlorobenzyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((2-chlorobenzyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione (CAS 861820-70-4) is a chemical compound with molecular formula C21H20ClN5O2 and molecular weight 409.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2-chlorophenyl)methylamino]-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
Also Known As: 8-((2-chlorobenzyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione, 8-[(2-chlorobenzyl)amino]-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione, 8-[(2-chlorophenyl)methylamino]-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione, 8-{[(2-chlorophenyl)methyl]amino}-3-methyl-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-{[(2-chlorophenyl)methyl]amino}-3-methyl-7-[(3-methylphenyl)methyl]-1,3,7-tr ihydropurine-2,6-dione
| Molecular Formula | C21H20ClN5O2 |
|---|---|
| Molecular Weight | 409.13 g/mol |
| LogP | 3.04552 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.13055 |
| Heavy Atoms | 29 |
| Complexity | 1318.8885 |
Chemical Identifiers
| CAS Number | 861820-70-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2NCC4=CC=CC=C4Cl)N(C(=O)NC3=O)C |
Product Overview
8-((2-chlorobenzyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione (CAS 861820-70-4), with molecular formula C21H20ClN5O2 and molecular weight 409.13 g/mol. IUPAC: 8-[(2-chlorophenyl)methylamino]-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione.
Chemical Property Profile of 8-((2-chlorobenzyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((2-chlorobenzyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.04552 indicates that 8-((2-chlorobenzyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((2-chlorobenzyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((2-chlorobenzyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione has 2 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-((2-chlorobenzyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((2-chlorobenzyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is 861820-70-4.
What is the molecular formula of 8-((2-chlorobenzyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((2-chlorobenzyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is C21H20ClN5O2.
What is the molecular weight of 8-((2-chlorobenzyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((2-chlorobenzyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is 409.13 g/mol.
Where can I buy 8-((2-chlorobenzyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((2-chlorobenzyl)amino)-3-methyl-7-(3-methylbenzyl)-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-((2-chlorobenzyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((2-chlorobenzyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.