![3-Methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-yl)purine-2,6-dione structure](/static/products/847/847409-58-9.png)
3-Methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-yl)purine-2,6-dione
TL;DR: 3-Methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-yl)purine-2,6-dione (CAS 847409-58-9) is a chemical compound with molecular formula C16H24N6O3 and molecular weight 348.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-yl)purine-2,6-dione
Also Known As: 3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-yl)purine-2,6-dione, 3-methyl-7-(1-methyl-2-oxopropyl)-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione, 3-methyl-7-(1-methyl-2-oxopropyl)-8-[(4-methylpiperazinyl)methyl]-1,3,7-trihyd ropurine-2,6-dione, 3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C16H24N6O3 |
|---|---|
| Molecular Weight | 348.19 g/mol |
| LogP | -0.6793 |
| Topological Polar Surface Area | 96.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.19098 |
| Heavy Atoms | 25 |
| Complexity | 916.3186 |
Chemical Identifiers
| CAS Number | 847409-58-9 |
|---|---|
| SMILES | CC(C(=O)C)N1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)C |
Product Overview
3-Methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-yl)purine-2,6-dione (CAS 847409-58-9), with molecular formula C16H24N6O3 and molecular weight 348.19 g/mol. IUPAC: 3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-yl)purine-2,6-dione.
Chemical Property Profile of 3-Methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-yl)purine-2,6-dione
Property Insights of 3-Methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-yl)purine-2,6-dione
The XLogP value of -0.6793 indicates that 3-Methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-yl)purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-yl)purine-2,6-dione. Following Lipinski's Rule of Five, 3-Methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-yl)purine-2,6-dione has 1 hydrogen bond donor(s) and 6 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-Methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-yl)purine-2,6-dione?
The CAS number of 3-Methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-yl)purine-2,6-dione is 847409-58-9.
What is the molecular formula of 3-Methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-yl)purine-2,6-dione?
The molecular formula of 3-Methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-yl)purine-2,6-dione is C16H24N6O3.
What is the molecular weight of 3-Methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-yl)purine-2,6-dione?
The molecular weight of 3-Methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-yl)purine-2,6-dione is 348.19 g/mol.
Where can I buy 3-Methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-yl)purine-2,6-dione?
You can request a quote for 3-Methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-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-Methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-yl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-yl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.