![3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione structure](/static/products/847/847239-76-3.png)
3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione
TL;DR: 3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione (CAS 847239-76-3) 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-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione
Also Known As: 3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione, F1699-0022, 3-methyl-8-((4-methylpiperazin-1-yl)methyl)-1H-purine-2,6(3H,7H)-dione, 3-methyl-8-[(4-methylpiperazinyl)methyl]-1,3,7-trihydropurine-2,6-dione, 3-methyl-8-((4-methylpiperazin-1-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C12H18N6O2 |
|---|---|
| Molecular Weight | 278.15 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 84.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.1491 |
| Heavy Atoms | 20 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 847239-76-3 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=NC3=C(N2)C(=O)NC(=O)N3C |
| InChIKey | ICBHSOKEZKTOCN-UHFFFAOYSA-N |
Product Overview
3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione (CAS 847239-76-3), with molecular formula C12H18N6O2 and molecular weight 278.15 g/mol. IUPAC: 3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione.
Chemical Property Profile of 3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione
Property Insights of 3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione
The XLogP value of -0.9 indicates that 3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione. Following Lipinski's Rule of Five, 3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione has 2 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-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione?
The CAS number of 3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione is 847239-76-3.
What is the molecular formula of 3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione?
The molecular formula of 3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione is C12H18N6O2.
What is the molecular weight of 3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione?
The molecular weight of 3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione is 278.15 g/mol.
Where can I buy 3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione?
You can request a quote for 3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-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]-7H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.