7-isopentyl-3-methyl-8-(4-(4-methylbenzyl)piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-isopentyl-3-methyl-8-(4-(4-methylbenzyl)piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 895834-76-1) is a chemical compound with molecular formula C23H32N6O2 and molecular weight 424.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(3-methylbutyl)-8-[4-[(4-methylphenyl)methyl]piperazin-1-yl]purine-2,6-dione
Also Known As: 7-isopentyl-3-methyl-8-(4-(4-methylbenzyl)piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, F2636-0128, 3-methyl-7-(3-methylbutyl)-8-[4-[(4-methylphenyl)methyl]piperazin-1-yl]purine-2,6-dione, 3-methyl-7-(3-methylbutyl)-8-{4-[(4-methylphenyl)methyl]piperazin-1-yl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 6-hydroxy-3-methyl-8-[4-(4-methylbenzyl)piperazin-1-yl]-7-(3-methylbutyl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C23H32N6O2 |
|---|---|
| Molecular Weight | 424.26 g/mol |
| LogP | 2.10002 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.25867 |
| Heavy Atoms | 31 |
| Complexity | 1163.7253 |
Chemical Identifiers
| CAS Number | 895834-76-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2CCN(CC2)C3=NC4=C(N3CCC(C)C)C(=O)NC(=O)N4C |
Product Overview
7-isopentyl-3-methyl-8-(4-(4-methylbenzyl)piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 895834-76-1), with molecular formula C23H32N6O2 and molecular weight 424.26 g/mol. IUPAC: 3-methyl-7-(3-methylbutyl)-8-[4-[(4-methylphenyl)methyl]piperazin-1-yl]purine-2,6-dione.
Chemical Property Profile of 7-isopentyl-3-methyl-8-(4-(4-methylbenzyl)piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-isopentyl-3-methyl-8-(4-(4-methylbenzyl)piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.10002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-isopentyl-3-methyl-8-(4-(4-methylbenzyl)piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-isopentyl-3-methyl-8-(4-(4-methylbenzyl)piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-isopentyl-3-methyl-8-(4-(4-methylbenzyl)piperazin-1-yl)-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 7-isopentyl-3-methyl-8-(4-(4-methylbenzyl)piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-isopentyl-3-methyl-8-(4-(4-methylbenzyl)piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is 895834-76-1.
What is the molecular formula of 7-isopentyl-3-methyl-8-(4-(4-methylbenzyl)piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-isopentyl-3-methyl-8-(4-(4-methylbenzyl)piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is C23H32N6O2.
What is the molecular weight of 7-isopentyl-3-methyl-8-(4-(4-methylbenzyl)piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-isopentyl-3-methyl-8-(4-(4-methylbenzyl)piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is 424.26 g/mol.
Where can I buy 7-isopentyl-3-methyl-8-(4-(4-methylbenzyl)piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-isopentyl-3-methyl-8-(4-(4-methylbenzyl)piperazin-1-yl)-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 7-isopentyl-3-methyl-8-(4-(4-methylbenzyl)piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-isopentyl-3-methyl-8-(4-(4-methylbenzyl)piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.