1-benzyl-3,7-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 1-benzyl-3,7-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione (CAS 300591-60-0) is a chemical compound with molecular formula C19H24N6O2 and molecular weight 368.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3,7-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
Also Known As: AN-512/13208025, 1-benzyl-3,7-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione, 1-benzyl-3,7-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione, 1-benzyl-3,7-dimethyl-8-(4-methyl-1-piperazinyl)-3,7-dihydro-1H-purine-2,6-dione, 1-benzyl-3,7-dimethyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C19H24N6O2 |
|---|---|
| Molecular Weight | 368.20 g/mol |
| LogP | 0.2338 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.19608 |
| Heavy Atoms | 27 |
| Complexity | 1087.3159 |
Chemical Identifiers
| CAS Number | 300591-60-0 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4 |
Product Overview
1-benzyl-3,7-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione (CAS 300591-60-0), with molecular formula C19H24N6O2 and molecular weight 368.20 g/mol. IUPAC: 1-benzyl-3,7-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of 1-benzyl-3,7-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 1-benzyl-3,7-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 0.2338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-3,7-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-3,7-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1-benzyl-3,7-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione has 0 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 1-benzyl-3,7-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 1-benzyl-3,7-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione is 300591-60-0.
What is the molecular formula of 1-benzyl-3,7-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 1-benzyl-3,7-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione is C19H24N6O2.
What is the molecular weight of 1-benzyl-3,7-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 1-benzyl-3,7-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione is 368.20 g/mol.
Where can I buy 1-benzyl-3,7-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 1-benzyl-3,7-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-3,7-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-3,7-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.