1,3,7-Tris(2-oxopropyl)purine-2,6-dione
TL;DR: 1,3,7-Tris(2-oxopropyl)purine-2,6-dione (CAS 55242-53-0) is a chemical compound with molecular formula C14H16N4O5 and molecular weight 320.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,7-tris(2-oxopropyl)purine-2,6-dione
Also Known As: 1,3,7-tris(2-oxopropyl)purine-2,6-dione, 1,3,7-Tris(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C14H16N4O5 |
|---|---|
| Molecular Weight | 320.11 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.11206 |
| Heavy Atoms | 23 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 55242-53-0 |
|---|---|
| SMILES | CC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2CC(=O)C)CC(=O)C |
| InChIKey | VWANGWKPRGWNDK-UHFFFAOYSA-N |
Product Overview
1,3,7-Tris(2-oxopropyl)purine-2,6-dione (CAS 55242-53-0), with molecular formula C14H16N4O5 and molecular weight 320.11 g/mol. IUPAC: 1,3,7-tris(2-oxopropyl)purine-2,6-dione.
Chemical Property Profile of 1,3,7-Tris(2-oxopropyl)purine-2,6-dione
Property Insights of 1,3,7-Tris(2-oxopropyl)purine-2,6-dione
The XLogP value of -1.1 indicates that 1,3,7-Tris(2-oxopropyl)purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,7-Tris(2-oxopropyl)purine-2,6-dione. Following Lipinski's Rule of Five, 1,3,7-Tris(2-oxopropyl)purine-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 1,3,7-Tris(2-oxopropyl)purine-2,6-dione?
The CAS number of 1,3,7-Tris(2-oxopropyl)purine-2,6-dione is 55242-53-0.
What is the molecular formula of 1,3,7-Tris(2-oxopropyl)purine-2,6-dione?
The molecular formula of 1,3,7-Tris(2-oxopropyl)purine-2,6-dione is C14H16N4O5.
What is the molecular weight of 1,3,7-Tris(2-oxopropyl)purine-2,6-dione?
The molecular weight of 1,3,7-Tris(2-oxopropyl)purine-2,6-dione is 320.11 g/mol.
Where can I buy 1,3,7-Tris(2-oxopropyl)purine-2,6-dione?
You can request a quote for 1,3,7-Tris(2-oxopropyl)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-Tris(2-oxopropyl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3,7-Tris(2-oxopropyl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.