8-((2-aminoethyl)amino)-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((2-aminoethyl)amino)-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 586998-22-3) is a chemical compound with molecular formula C16H19ClN6O2 and molecular weight 362.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-aminoethylamino)-1-[(2-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
Also Known As: 8-((2-aminoethyl)amino)-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(2-aminoethylamino)-1-[(2-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione, 8-(2-aminoethylamino)-1-[(2-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione, 8-[(2-aminoethyl)amino]-1-(2-chlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C16H19ClN6O2 |
|---|---|
| Molecular Weight | 362.13 g/mol |
| LogP | 0.506 |
| Topological Polar Surface Area | 99.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.1258 |
| Heavy Atoms | 25 |
| Complexity | 1049.1852 |
Chemical Identifiers
| CAS Number | 586998-22-3 |
|---|---|
| SMILES | CN1C2=C(N=C1NCCN)N(C(=O)N(C2=O)CC3=CC=CC=C3Cl)C |
Product Overview
8-((2-aminoethyl)amino)-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 586998-22-3), with molecular formula C16H19ClN6O2 and molecular weight 362.13 g/mol. IUPAC: 8-(2-aminoethylamino)-1-[(2-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-((2-aminoethyl)amino)-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((2-aminoethyl)amino)-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.506 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((2-aminoethyl)amino)-1-(2-chlorobenzyl)-3,7-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-((2-aminoethyl)amino)-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((2-aminoethyl)amino)-1-(2-chlorobenzyl)-3,7-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-((2-aminoethyl)amino)-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((2-aminoethyl)amino)-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 586998-22-3.
What is the molecular formula of 8-((2-aminoethyl)amino)-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((2-aminoethyl)amino)-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is C16H19ClN6O2.
What is the molecular weight of 8-((2-aminoethyl)amino)-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((2-aminoethyl)amino)-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 362.13 g/mol.
Where can I buy 8-((2-aminoethyl)amino)-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((2-aminoethyl)amino)-1-(2-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-((2-aminoethyl)amino)-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((2-aminoethyl)amino)-1-(2-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.