8-((2-chlorobenzyl)amino)-7-(3-methoxybenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((2-chlorobenzyl)amino)-7-(3-methoxybenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 368841-59-2) is a chemical compound with molecular formula C22H22ClN5O3 and molecular weight 439.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2-chlorophenyl)methylamino]-7-[(3-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 8-((2-chlorobenzyl)amino)-7-(3-methoxybenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-[(2-chlorophenyl)methylamino]-7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione, 8-[(2-chlorophenyl)methylamino]-7-[(3-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C22H22ClN5O3 |
|---|---|
| Molecular Weight | 439.14 g/mol |
| LogP | 2.7561 |
| Topological Polar Surface Area | 83.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.1411 |
| Heavy Atoms | 31 |
| Complexity | 1386.4083 |
Chemical Identifiers
| CAS Number | 368841-59-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3Cl)CC4=CC(=CC=C4)OC |
Product Overview
8-((2-chlorobenzyl)amino)-7-(3-methoxybenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 368841-59-2), with molecular formula C22H22ClN5O3 and molecular weight 439.14 g/mol. IUPAC: 8-[(2-chlorophenyl)methylamino]-7-[(3-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-((2-chlorobenzyl)amino)-7-(3-methoxybenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((2-chlorobenzyl)amino)-7-(3-methoxybenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.7561 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((2-chlorobenzyl)amino)-7-(3-methoxybenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 83.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((2-chlorobenzyl)amino)-7-(3-methoxybenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((2-chlorobenzyl)amino)-7-(3-methoxybenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 5 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)-7-(3-methoxybenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((2-chlorobenzyl)amino)-7-(3-methoxybenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 368841-59-2.
What is the molecular formula of 8-((2-chlorobenzyl)amino)-7-(3-methoxybenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((2-chlorobenzyl)amino)-7-(3-methoxybenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C22H22ClN5O3.
What is the molecular weight of 8-((2-chlorobenzyl)amino)-7-(3-methoxybenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((2-chlorobenzyl)amino)-7-(3-methoxybenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 439.14 g/mol.
Where can I buy 8-((2-chlorobenzyl)amino)-7-(3-methoxybenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((2-chlorobenzyl)amino)-7-(3-methoxybenzyl)-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-((2-chlorobenzyl)amino)-7-(3-methoxybenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((2-chlorobenzyl)amino)-7-(3-methoxybenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.