8-(4-(2,4-dichlorobenzyl)piperazin-1-yl)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(4-(2,4-dichlorobenzyl)piperazin-1-yl)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 895844-60-7) is a chemical compound with molecular formula C20H24Cl2N6O3 and molecular weight 466.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
Also Known As: 8-(4-(2,4-dichlorobenzyl)piperazin-1-yl)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, F2636-0599, 8-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione, 8-[4-(2,4-dichlorobenzyl)piperazin-1-yl]-6-hydroxy-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-2H-purin-2-one, 8-[4-(2,4-dichlorobenzyl)piperazin-1-yl]-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C20H24Cl2N6O3 |
|---|---|
| Molecular Weight | 466.13 g/mol |
| LogP | 1.6987 |
| Topological Polar Surface Area | 88.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.1287 |
| Heavy Atoms | 31 |
| Complexity | 1210.0712 |
Chemical Identifiers
| CAS Number | 895844-60-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC4=C(C=C(C=C4)Cl)Cl)CCOC |
Product Overview
8-(4-(2,4-dichlorobenzyl)piperazin-1-yl)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 895844-60-7), with molecular formula C20H24Cl2N6O3 and molecular weight 466.13 g/mol. IUPAC: 8-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(4-(2,4-dichlorobenzyl)piperazin-1-yl)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(4-(2,4-dichlorobenzyl)piperazin-1-yl)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.6987 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(4-(2,4-dichlorobenzyl)piperazin-1-yl)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 88.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-(2,4-dichlorobenzyl)piperazin-1-yl)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(4-(2,4-dichlorobenzyl)piperazin-1-yl)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 6 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-(4-(2,4-dichlorobenzyl)piperazin-1-yl)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(4-(2,4-dichlorobenzyl)piperazin-1-yl)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 895844-60-7.
What is the molecular formula of 8-(4-(2,4-dichlorobenzyl)piperazin-1-yl)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(4-(2,4-dichlorobenzyl)piperazin-1-yl)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is C20H24Cl2N6O3.
What is the molecular weight of 8-(4-(2,4-dichlorobenzyl)piperazin-1-yl)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(4-(2,4-dichlorobenzyl)piperazin-1-yl)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 466.13 g/mol.
Where can I buy 8-(4-(2,4-dichlorobenzyl)piperazin-1-yl)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(4-(2,4-dichlorobenzyl)piperazin-1-yl)-7-(2-methoxyethyl)-3-methyl-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-(4-(2,4-dichlorobenzyl)piperazin-1-yl)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-(2,4-dichlorobenzyl)piperazin-1-yl)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.