1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione
TL;DR: 1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione (CAS 50693-74-8) 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.
1,3,7-trimethyl-8-piperazin-1-ylpurine-2,6-dione
Also Known As: 1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione, 1,3,7-trimethyl-8-piperazin-1-ylpurine-2,6-dione, BAS 00930597, J1.169.804B, 1,3,7-Trimethyl-8-piperazin-1-yl3,7-dihydro-purine-2,6-dione
| Molecular Formula | C12H18N6O2 |
|---|---|
| Molecular Weight | 278.15 g/mol |
| LogP | -0.6 |
| 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 | 424.0 |
Chemical Identifiers
| CAS Number | 50693-74-8 |
|---|---|
| SMILES | CN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C |
| InChIKey | CWQBJMULHKYRNB-UHFFFAOYSA-N |
Product Overview
1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione (CAS 50693-74-8), with molecular formula C12H18N6O2 and molecular weight 278.15 g/mol. IUPAC: 1,3,7-trimethyl-8-piperazin-1-ylpurine-2,6-dione.
Chemical Property Profile of 1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione
Property Insights of 1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione
The XLogP value of -0.6 indicates that 1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-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 1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-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 1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione?
The CAS number of 1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione is 50693-74-8.
What is the molecular formula of 1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione is C12H18N6O2.
What is the molecular weight of 1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione is 278.15 g/mol.
Where can I buy 1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-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 1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.