![7-(4-chlorobenzyl)-8-[(4-methoxybenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/842/842965-33-7.png)
7-(4-chlorobenzyl)-8-[(4-methoxybenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-(4-chlorobenzyl)-8-[(4-methoxybenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 842965-33-7) 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.
7-[(4-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(4-chlorobenzyl)-8-[(4-methoxybenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-(4-chlorobenzyl)-8-((4-methoxybenzyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-[(4-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1,3-dimethyl-purine-2,6-dione, 7-[(4-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1,3-dimethylpurine-2,6-dione, 7-[(4-chlorophenyl)methyl]-8-{[(4-methoxyphenyl)methyl]amino}-1,3-dimethyl-1,3 ,7-trihydropurine-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 | 1351.9083 |
Chemical Identifiers
| CAS Number | 842965-33-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)Cl |
Product Overview
7-(4-chlorobenzyl)-8-[(4-methoxybenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 842965-33-7), with molecular formula C22H22ClN5O3 and molecular weight 439.14 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(4-chlorobenzyl)-8-[(4-methoxybenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-(4-chlorobenzyl)-8-[(4-methoxybenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.7561 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(4-chlorobenzyl)-8-[(4-methoxybenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 83.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-chlorobenzyl)-8-[(4-methoxybenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(4-chlorobenzyl)-8-[(4-methoxybenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-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 7-(4-chlorobenzyl)-8-[(4-methoxybenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-(4-chlorobenzyl)-8-[(4-methoxybenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 842965-33-7.
What is the molecular formula of 7-(4-chlorobenzyl)-8-[(4-methoxybenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-(4-chlorobenzyl)-8-[(4-methoxybenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C22H22ClN5O3.
What is the molecular weight of 7-(4-chlorobenzyl)-8-[(4-methoxybenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-(4-chlorobenzyl)-8-[(4-methoxybenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 439.14 g/mol.
Where can I buy 7-(4-chlorobenzyl)-8-[(4-methoxybenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-(4-chlorobenzyl)-8-[(4-methoxybenzyl)amino]-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 7-(4-chlorobenzyl)-8-[(4-methoxybenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-chlorobenzyl)-8-[(4-methoxybenzyl)amino]-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.