1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(4-methyl-1-piperazinyl)-
TL;DR: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(4-methyl-1-piperazinyl)- (CAS 52943-65-4) is a chemical compound with molecular formula C12H18N6O2 and molecular weight 278.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7H-purine-2,6-dione
Also Known As: 4-26-00-03988 (Beilstein Handbook Reference), N(sup 1)-(8-Teofillina)-N(sup 4)-metilpiperazina, N(sup 1)-(Theophyllinyl-8)-N(sup 4)-methylpiperazine, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(4-methyl-1-piperazinyl)-, N(sup 1)-(8-Teofillina)-N(sup 4)-metilpiperazina [Italian]
| Molecular Formula | C12H18N6O2 |
|---|---|
| Molecular Weight | 278.15 g/mol |
| LogP | -1.2879 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.1491 |
| Heavy Atoms | 20 |
| Complexity | 762.5711 |
Chemical Identifiers
| CAS Number | 52943-65-4 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C |
Product Overview
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(4-methyl-1-piperazinyl)- (CAS 52943-65-4), with molecular formula C12H18N6O2 and molecular weight 278.15 g/mol. IUPAC: 1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7H-purine-2,6-dione.
Chemical Property Profile of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(4-methyl-1-piperazinyl)-
Property Insights of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(4-methyl-1-piperazinyl)-
The XLogP value of -1.2879 indicates that 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(4-methyl-1-piperazinyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(4-methyl-1-piperazinyl)-. Following Lipinski's Rule of Five, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(4-methyl-1-piperazinyl)- 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 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(4-methyl-1-piperazinyl)-?
The CAS number of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(4-methyl-1-piperazinyl)- is 52943-65-4.
What is the molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(4-methyl-1-piperazinyl)-?
The molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(4-methyl-1-piperazinyl)- is C12H18N6O2.
What is the molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(4-methyl-1-piperazinyl)-?
The molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(4-methyl-1-piperazinyl)- is 278.15 g/mol.
Where can I buy 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(4-methyl-1-piperazinyl)-?
You can request a quote for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(4-methyl-1-piperazinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(4-methyl-1-piperazinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(4-methyl-1-piperazinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.