8-(((3-(aminomethyl)cyclohexyl)methyl)amino)-7-(2,4-dichlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(((3-(aminomethyl)cyclohexyl)methyl)amino)-7-(2,4-dichlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 587002-32-2) is a chemical compound with molecular formula C22H28Cl2N6O2 and molecular weight 478.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[3-(aminomethyl)cyclohexyl]methylamino]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 8-(((3-(aminomethyl)cyclohexyl)methyl)amino)-7-(2,4-dichlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-({[3-(aminomethyl)cyclohexyl]methyl}amino)-7-(2,4-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-[[3-(aminomethyl)cyclohexyl]methylamino]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C22H28Cl2N6O2 |
|---|---|
| Molecular Weight | 478.17 g/mol |
| LogP | 2.9658 |
| Topological Polar Surface Area | 99.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.16507 |
| Heavy Atoms | 32 |
| Complexity | 1262.0103 |
Chemical Identifiers
| CAS Number | 587002-32-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3CCCC(C3)CN)CC4=C(C=C(C=C4)Cl)Cl |
Product Overview
8-(((3-(aminomethyl)cyclohexyl)methyl)amino)-7-(2,4-dichlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 587002-32-2), with molecular formula C22H28Cl2N6O2 and molecular weight 478.17 g/mol. IUPAC: 8-[[3-(aminomethyl)cyclohexyl]methylamino]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-(((3-(aminomethyl)cyclohexyl)methyl)amino)-7-(2,4-dichlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(((3-(aminomethyl)cyclohexyl)methyl)amino)-7-(2,4-dichlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.9658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(((3-(aminomethyl)cyclohexyl)methyl)amino)-7-(2,4-dichlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 99.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(((3-(aminomethyl)cyclohexyl)methyl)amino)-7-(2,4-dichlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(((3-(aminomethyl)cyclohexyl)methyl)amino)-7-(2,4-dichlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione has 2 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-(((3-(aminomethyl)cyclohexyl)methyl)amino)-7-(2,4-dichlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(((3-(aminomethyl)cyclohexyl)methyl)amino)-7-(2,4-dichlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 587002-32-2.
What is the molecular formula of 8-(((3-(aminomethyl)cyclohexyl)methyl)amino)-7-(2,4-dichlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(((3-(aminomethyl)cyclohexyl)methyl)amino)-7-(2,4-dichlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C22H28Cl2N6O2.
What is the molecular weight of 8-(((3-(aminomethyl)cyclohexyl)methyl)amino)-7-(2,4-dichlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(((3-(aminomethyl)cyclohexyl)methyl)amino)-7-(2,4-dichlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 478.17 g/mol.
Where can I buy 8-(((3-(aminomethyl)cyclohexyl)methyl)amino)-7-(2,4-dichlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(((3-(aminomethyl)cyclohexyl)methyl)amino)-7-(2,4-dichlorobenzyl)-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-(((3-(aminomethyl)cyclohexyl)methyl)amino)-7-(2,4-dichlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(((3-(aminomethyl)cyclohexyl)methyl)amino)-7-(2,4-dichlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.