1,3-dimethyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 1,3-dimethyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 10226-64-9) is a chemical compound with molecular formula C10H12N4O3 and molecular weight 236.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-(2-oxopropyl)purine-2,6-dione
Also Known As: 1,3-Dimethyl-7-acetonylxanthine, BAS 01547073, 1,3-dimethyl-7-(2-oxopropyl)xanthine, 1,3-dimethyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione, 7-(2-Oxopropyl)-1,3-dimethylxanthine
| Molecular Formula | C10H12N4O3 |
|---|---|
| Molecular Weight | 236.09 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.09094 |
| Heavy Atoms | 17 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 10226-64-9 |
|---|---|
| SMILES | CC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C |
| InChIKey | GQYCXRLWSBUAKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-dimethyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 10226-64-9), with molecular formula C10H12N4O3 and molecular weight 236.09 g/mol. IUPAC: 1,3-dimethyl-7-(2-oxopropyl)purine-2,6-dione.
Chemical Property Profile of 1,3-dimethyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 1,3-dimethyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of -0.6 indicates that 1,3-dimethyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione has 0 hydrogen bond donor(s) and 4 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-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 1,3-dimethyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione is 10226-64-9.
What is the molecular formula of 1,3-dimethyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 1,3-dimethyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione is C10H12N4O3.
What is the molecular weight of 1,3-dimethyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 1,3-dimethyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione is 236.09 g/mol.
Where can I buy 1,3-dimethyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 1,3-dimethyl-7-(2-oxopropyl)-3,7-dihydro-1H-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-dimethyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.