3,7-Dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
TL;DR: 3,7-Dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione (CAS 67162-66-7) 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.
3,7-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
Also Known As: BAS 01122549, 3,7-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione, F0403-0030, 3,7-dimethyl-8-(4-methylpiperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 3,7-Dimethyl-8-(4-methyl-piperazin-1-yl)-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C12H18N6O2 |
|---|---|
| Molecular Weight | 278.15 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 73.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.1491 |
| Heavy Atoms | 20 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 67162-66-7 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=C(N2C)C(=O)NC(=O)N3C |
| InChIKey | HNYHEJBDUUFDMF-UHFFFAOYSA-N |
Product Overview
3,7-Dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione (CAS 67162-66-7), with molecular formula C12H18N6O2 and molecular weight 278.15 g/mol. IUPAC: 3,7-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of 3,7-Dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
Property Insights of 3,7-Dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
The XLogP value of -0.3 indicates that 3,7-Dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione. Following Lipinski's Rule of Five, 3,7-Dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-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 3,7-Dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione?
The CAS number of 3,7-Dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione is 67162-66-7.
What is the molecular formula of 3,7-Dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione?
The molecular formula of 3,7-Dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione is C12H18N6O2.
What is the molecular weight of 3,7-Dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione?
The molecular weight of 3,7-Dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione is 278.15 g/mol.
Where can I buy 3,7-Dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione?
You can request a quote for 3,7-Dimethyl-8-(4-methylpiperazin-1-yl)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 3,7-Dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.