8-(4-(4-chlorobenzyl)piperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(4-(4-chlorobenzyl)piperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 879593-63-2) is a chemical compound with molecular formula C21H27ClN6O2 and molecular weight 430.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione
Also Known As: 8-(4-(4-chlorobenzyl)piperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione, F2636-0113, 8-[4-(4-chlorobenzyl)piperazin-1-yl]-6-hydroxy-3-methyl-7-(2-methylpropyl)-3,7-dihydro-2H-purin-2-one, 8-{4-[(4-chlorophenyl)methyl]piperazinyl}-3-methyl-7-(2-methylpropyl)-1,3,7-tr ihydropurine-2,6-dione
| Molecular Formula | C21H27ClN6O2 |
|---|---|
| Molecular Weight | 430.19 g/mol |
| LogP | 2.0549 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.18842 |
| Heavy Atoms | 30 |
| Complexity | 1153.1838 |
Chemical Identifiers
| CAS Number | 879593-63-2 |
|---|---|
| SMILES | CC(C)CN1C2=C(N=C1N3CCN(CC3)CC4=CC=C(C=C4)Cl)N(C(=O)NC2=O)C |
Product Overview
8-(4-(4-chlorobenzyl)piperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 879593-63-2), with molecular formula C21H27ClN6O2 and molecular weight 430.19 g/mol. IUPAC: 8-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione.
Chemical Property Profile of 8-(4-(4-chlorobenzyl)piperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(4-(4-chlorobenzyl)piperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.0549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(4-(4-chlorobenzyl)piperazin-1-yl)-7-isobutyl-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-(4-chlorobenzyl)piperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(4-(4-chlorobenzyl)piperazin-1-yl)-7-isobutyl-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-(4-chlorobenzyl)piperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(4-(4-chlorobenzyl)piperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione is 879593-63-2.
What is the molecular formula of 8-(4-(4-chlorobenzyl)piperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(4-(4-chlorobenzyl)piperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione is C21H27ClN6O2.
What is the molecular weight of 8-(4-(4-chlorobenzyl)piperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(4-(4-chlorobenzyl)piperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione is 430.19 g/mol.
Where can I buy 8-(4-(4-chlorobenzyl)piperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(4-(4-chlorobenzyl)piperazin-1-yl)-7-isobutyl-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-(4-chlorobenzyl)piperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-(4-chlorobenzyl)piperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.