8-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-7-(2-ethoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-7-(2-ethoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 851941-34-9) is a chemical compound with molecular formula C22H29ClN6O3 and molecular weight 460.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-(2-ethoxyethyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 8-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-7-(2-ethoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-(2-ethoxyethyl)-1,3-dimethylpurine-2,6-dione, 8-{[4-(3-CHLOROPHENYL)PIPERAZIN-1-YL]METHYL}-7-(2-ETHOXYETHYL)-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE, 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-(2-ethoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-{[4-(3-chlorophenyl)piperazinyl]methyl}-7-(2-ethoxyethyl)-1,3-dimethyl-1,3,7 -trihydropurine-2,6-dione
| Molecular Formula | C22H29ClN6O3 |
|---|---|
| Molecular Weight | 460.20 g/mol |
| LogP | 1.4458 |
| Topological Polar Surface Area | 77.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.19897 |
| Heavy Atoms | 32 |
| Complexity | 1222.8549 |
Chemical Identifiers
| CAS Number | 851941-34-9 |
|---|---|
| SMILES | CCOCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC(=CC=C4)Cl |
Product Overview
8-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-7-(2-ethoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 851941-34-9), with molecular formula C22H29ClN6O3 and molecular weight 460.20 g/mol. IUPAC: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-(2-ethoxyethyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-7-(2-ethoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-7-(2-ethoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.4458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-7-(2-ethoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 77.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-7-(2-ethoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-7-(2-ethoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione has 0 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-(3-chlorophenyl)piperazin-1-yl)methyl)-7-(2-ethoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-7-(2-ethoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 851941-34-9.
What is the molecular formula of 8-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-7-(2-ethoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-7-(2-ethoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C22H29ClN6O3.
What is the molecular weight of 8-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-7-(2-ethoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-7-(2-ethoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 460.20 g/mol.
Where can I buy 8-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-7-(2-ethoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-7-(2-ethoxyethyl)-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-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-7-(2-ethoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-7-(2-ethoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.