1-(2,3-Dihydroxypropyl)-3-methyl-3,9-dihydro-1H-purine-2,6-dione
TL;DR: 1-(2,3-Dihydroxypropyl)-3-methyl-3,9-dihydro-1H-purine-2,6-dione (CAS 120267-26-7) is a chemical compound with molecular formula C9H12N4O4 and molecular weight 240.08586 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,3-dihydroxypropyl)-3-methyl-7H-purine-2,6-dione
Also Known As: 1-(2,3-Dihydroxypropyl)-3-methylxanthine, Xanthine, 1-(2,3-dihydroxypropyl)-3-methyl-, 1-(beta,gamma-Dihydroxypropyl)-3-methylxanthine, 4-26-00-02369 (Beilstein Handbook Reference), Tricyclo<3.2.1.02,7>octan-2-carbonsaeure
Technical Specifications
| Molecular Formula | C9H12N4O4 |
| Molecular Weight | 240.08586 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.08586 Da |
| Heavy Atoms | 17 |
| Complexity | 337.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)CC(CO)O)NC=N2 |
| InChIKey | APZOIEVJVCXMNS-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2,3-Dihydroxypropyl)-3-methyl-3,9-dihydro-1H-purine-2,6-dione
Property Insights of 1-(2,3-Dihydroxypropyl)-3-methyl-3,9-dihydro-1H-purine-2,6-dione
The XLogP value of -1.3 indicates that 1-(2,3-Dihydroxypropyl)-3-methyl-3,9-dihydro-1H-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-(2,3-Dihydroxypropyl)-3-methyl-3,9-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1-(2,3-Dihydroxypropyl)-3-methyl-3,9-dihydro-1H-purine-2,6-dione has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(2,3-Dihydroxypropyl)-3-methyl-3,9-dihydro-1H-purine-2,6-dione?
The CAS number of 1-(2,3-Dihydroxypropyl)-3-methyl-3,9-dihydro-1H-purine-2,6-dione is 120267-26-7.
What is the molecular formula of 1-(2,3-Dihydroxypropyl)-3-methyl-3,9-dihydro-1H-purine-2,6-dione?
The molecular formula of 1-(2,3-Dihydroxypropyl)-3-methyl-3,9-dihydro-1H-purine-2,6-dione is C9H12N4O4.
What is the molecular weight of 1-(2,3-Dihydroxypropyl)-3-methyl-3,9-dihydro-1H-purine-2,6-dione?
The molecular weight of 1-(2,3-Dihydroxypropyl)-3-methyl-3,9-dihydro-1H-purine-2,6-dione is 240.08586 g/mol.
Where can I buy 1-(2,3-Dihydroxypropyl)-3-methyl-3,9-dihydro-1H-purine-2,6-dione?
You can request a quote for 1-(2,3-Dihydroxypropyl)-3-methyl-3,9-dihydro-1H-purine-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2,3-Dihydroxypropyl)-3-methyl-3,9-dihydro-1H-purine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 1-(2,3-Dihydroxypropyl)-3-methyl-3,9-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.