8-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 862979-43-9) is a chemical compound with molecular formula C22H29ClN6O2 and molecular weight 444.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione
Also Known As: 8-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione, 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione, 8-{[4-(5-CHLORO-2-METHYLPHENYL)PIPERAZIN-1-YL]METHYL}-3-METHYL-7-(2-METHYLPROPYL)-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE, 8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-6-hydroxy-3-methyl-7-(2-methylpropyl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C22H29ClN6O2 |
|---|---|
| Molecular Weight | 444.20 g/mol |
| LogP | 2.36332 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.20404 |
| Heavy Atoms | 31 |
| Complexity | 1217.1898 |
Chemical Identifiers
| CAS Number | 862979-43-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC3=NC4=C(N3CC(C)C)C(=O)NC(=O)N4C |
Product Overview
8-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 862979-43-9), with molecular formula C22H29ClN6O2 and molecular weight 444.20 g/mol. IUPAC: 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione.
Chemical Property Profile of 8-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.36332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-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-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-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-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione is 862979-43-9.
What is the molecular formula of 8-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione is C22H29ClN6O2.
What is the molecular weight of 8-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione is 444.20 g/mol.
Where can I buy 8-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-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-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-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.