8-(4-(3-chlorobenzyl)piperazin-1-yl)-7-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(4-(3-chlorobenzyl)piperazin-1-yl)-7-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 878429-72-2) is a chemical compound with molecular formula C19H23ClN6O2 and molecular weight 402.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-7-ethyl-3-methylpurine-2,6-dione
Also Known As: BAS 13116965, 8-(4-(3-chlorobenzyl)piperazin-1-yl)-7-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-7-ethyl-3-methylpurine-2,6-dione, F2636-0008, 8-[4-(3-chlorobenzyl)piperazin-1-yl]-7-ethyl-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C19H23ClN6O2 |
|---|---|
| Molecular Weight | 402.16 g/mol |
| LogP | 1.4188 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.1571 |
| Heavy Atoms | 28 |
| Complexity | 1123.6348 |
Chemical Identifiers
| CAS Number | 878429-72-2 |
|---|---|
| SMILES | CCN1C2=C(N=C1N3CCN(CC3)CC4=CC(=CC=C4)Cl)N(C(=O)NC2=O)C |
Product Overview
8-(4-(3-chlorobenzyl)piperazin-1-yl)-7-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 878429-72-2), with molecular formula C19H23ClN6O2 and molecular weight 402.16 g/mol. IUPAC: 8-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-7-ethyl-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(4-(3-chlorobenzyl)piperazin-1-yl)-7-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(4-(3-chlorobenzyl)piperazin-1-yl)-7-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.4188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(4-(3-chlorobenzyl)piperazin-1-yl)-7-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-(3-chlorobenzyl)piperazin-1-yl)-7-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(4-(3-chlorobenzyl)piperazin-1-yl)-7-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione has 1 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-(4-(3-chlorobenzyl)piperazin-1-yl)-7-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(4-(3-chlorobenzyl)piperazin-1-yl)-7-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione is 878429-72-2.
What is the molecular formula of 8-(4-(3-chlorobenzyl)piperazin-1-yl)-7-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(4-(3-chlorobenzyl)piperazin-1-yl)-7-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione is C19H23ClN6O2.
What is the molecular weight of 8-(4-(3-chlorobenzyl)piperazin-1-yl)-7-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(4-(3-chlorobenzyl)piperazin-1-yl)-7-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione is 402.16 g/mol.
Where can I buy 8-(4-(3-chlorobenzyl)piperazin-1-yl)-7-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(4-(3-chlorobenzyl)piperazin-1-yl)-7-ethyl-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-(3-chlorobenzyl)piperazin-1-yl)-7-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-(3-chlorobenzyl)piperazin-1-yl)-7-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.