1,3-Dimethyl-8-(4-methylpiperazin-1-yl)-7-phenacylpurine-2,6-dione
TL;DR: 1,3-Dimethyl-8-(4-methylpiperazin-1-yl)-7-phenacylpurine-2,6-dione (CAS 313471-57-7) is a chemical compound with molecular formula C20H24N6O3 and molecular weight 396.19 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)-7-phenacylpurine-2,6-dione
Also Known As: BAS 01122545, 1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7-phenacylpurine-2,6-dione, A2733/0116044, 1,3-dimethyl-8-(4-methyl-1-piperazinyl)-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione, 1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7-(2-oxo-2-phenylethyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C20H24N6O3 |
|---|---|
| Molecular Weight | 396.19 g/mol |
| LogP | 0.0684 |
| Topological Polar Surface Area | 85.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.19098 |
| Heavy Atoms | 29 |
| Complexity | 1182.8774 |
Chemical Identifiers
| CAS Number | 313471-57-7 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=C(N2CC(=O)C4=CC=CC=C4)C(=O)N(C(=O)N3C)C |
Product Overview
1,3-Dimethyl-8-(4-methylpiperazin-1-yl)-7-phenacylpurine-2,6-dione (CAS 313471-57-7), with molecular formula C20H24N6O3 and molecular weight 396.19 g/mol. IUPAC: 1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7-phenacylpurine-2,6-dione.
Chemical Property Profile of 1,3-Dimethyl-8-(4-methylpiperazin-1-yl)-7-phenacylpurine-2,6-dione
Property Insights of 1,3-Dimethyl-8-(4-methylpiperazin-1-yl)-7-phenacylpurine-2,6-dione
The XLogP value of 0.0684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-8-(4-methylpiperazin-1-yl)-7-phenacylpurine-2,6-dione. The TPSA of 85.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-8-(4-methylpiperazin-1-yl)-7-phenacylpurine-2,6-dione. Following Lipinski's Rule of Five, 1,3-Dimethyl-8-(4-methylpiperazin-1-yl)-7-phenacylpurine-2,6-dione has 0 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 1,3-Dimethyl-8-(4-methylpiperazin-1-yl)-7-phenacylpurine-2,6-dione?
The CAS number of 1,3-Dimethyl-8-(4-methylpiperazin-1-yl)-7-phenacylpurine-2,6-dione is 313471-57-7.
What is the molecular formula of 1,3-Dimethyl-8-(4-methylpiperazin-1-yl)-7-phenacylpurine-2,6-dione?
The molecular formula of 1,3-Dimethyl-8-(4-methylpiperazin-1-yl)-7-phenacylpurine-2,6-dione is C20H24N6O3.
What is the molecular weight of 1,3-Dimethyl-8-(4-methylpiperazin-1-yl)-7-phenacylpurine-2,6-dione?
The molecular weight of 1,3-Dimethyl-8-(4-methylpiperazin-1-yl)-7-phenacylpurine-2,6-dione is 396.19 g/mol.
Where can I buy 1,3-Dimethyl-8-(4-methylpiperazin-1-yl)-7-phenacylpurine-2,6-dione?
You can request a quote for 1,3-Dimethyl-8-(4-methylpiperazin-1-yl)-7-phenacylpurine-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 1,3-Dimethyl-8-(4-methylpiperazin-1-yl)-7-phenacylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-8-(4-methylpiperazin-1-yl)-7-phenacylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.