![8-[(2-aminoethyl)amino]-7-(3,4-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/843/843627-45-2.png)
8-[(2-aminoethyl)amino]-7-(3,4-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-[(2-aminoethyl)amino]-7-(3,4-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 843627-45-2) is a chemical compound with molecular formula C16H18Cl2N6O2 and molecular weight 396.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-aminoethylamino)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 8-[(2-aminoethyl)amino]-7-(3,4-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-((2-aminoethyl)amino)-7-(3,4-dichlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(2-aminoethylamino)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione, 8-(2-aminoethylamino)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C16H18Cl2N6O2 |
|---|---|
| Molecular Weight | 396.09 g/mol |
| LogP | 1.1594 |
| Topological Polar Surface Area | 99.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.08682 |
| Heavy Atoms | 26 |
| Complexity | 1098.7838 |
Chemical Identifiers
| CAS Number | 843627-45-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN)CC3=CC(=C(C=C3)Cl)Cl |
Product Overview
8-[(2-aminoethyl)amino]-7-(3,4-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 843627-45-2), with molecular formula C16H18Cl2N6O2 and molecular weight 396.09 g/mol. IUPAC: 8-(2-aminoethylamino)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-[(2-aminoethyl)amino]-7-(3,4-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-[(2-aminoethyl)amino]-7-(3,4-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.1594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[(2-aminoethyl)amino]-7-(3,4-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 99.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(2-aminoethyl)amino]-7-(3,4-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-[(2-aminoethyl)amino]-7-(3,4-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-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]-7-(3,4-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-[(2-aminoethyl)amino]-7-(3,4-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 843627-45-2.
What is the molecular formula of 8-[(2-aminoethyl)amino]-7-(3,4-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-[(2-aminoethyl)amino]-7-(3,4-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C16H18Cl2N6O2.
What is the molecular weight of 8-[(2-aminoethyl)amino]-7-(3,4-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-[(2-aminoethyl)amino]-7-(3,4-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 396.09 g/mol.
Where can I buy 8-[(2-aminoethyl)amino]-7-(3,4-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-[(2-aminoethyl)amino]-7-(3,4-dichlorobenzyl)-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 8-[(2-aminoethyl)amino]-7-(3,4-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[(2-aminoethyl)amino]-7-(3,4-dichlorobenzyl)-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.