Xanthine, 7-(2,3-dihydroxypropyl)-3-isobutyl-1-methyl-
TL;DR: Xanthine, 7-(2,3-dihydroxypropyl)-3-isobutyl-1-methyl- (CAS 132560-20-4) is a chemical compound with molecular formula C13H20N4O4 and molecular weight 296.14847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(2,3-dihydroxypropyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
Also Known As: Xanthine, 7-(2,3-dihydroxypropyl)-3-isobutyl-1-methyl-, 1H-Purine-2,6-dione, 3,7-dihydro-7-(2,3-dihydroxypropyl)-1-methyl-3-(2-methylpropyl)-, 7-(2,3-Dihydroxypropyl)-1-methyl-3-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione, 7-(2,3-dihydroxypropyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione, BRN 4203006
Technical Specifications
| Molecular Formula | C13H20N4O4 |
| Molecular Weight | 296.14847 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 98.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.14847 Da |
| Heavy Atoms | 21 |
| Complexity | 417.0 |
| SMILES | CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O |
| InChIKey | DTZZLOACXJNFIL-UHFFFAOYSA-N |
Chemical Property Profile of Xanthine, 7-(2,3-dihydroxypropyl)-3-isobutyl-1-methyl-
Property Insights of Xanthine, 7-(2,3-dihydroxypropyl)-3-isobutyl-1-methyl-
The XLogP value of -0.5 indicates that Xanthine, 7-(2,3-dihydroxypropyl)-3-isobutyl-1-methyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Xanthine, 7-(2,3-dihydroxypropyl)-3-isobutyl-1-methyl-. Following Lipinski's Rule of Five, Xanthine, 7-(2,3-dihydroxypropyl)-3-isobutyl-1-methyl- has 2 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 Xanthine, 7-(2,3-dihydroxypropyl)-3-isobutyl-1-methyl-?
The CAS number of Xanthine, 7-(2,3-dihydroxypropyl)-3-isobutyl-1-methyl- is 132560-20-4.
What is the molecular formula of Xanthine, 7-(2,3-dihydroxypropyl)-3-isobutyl-1-methyl-?
The molecular formula of Xanthine, 7-(2,3-dihydroxypropyl)-3-isobutyl-1-methyl- is C13H20N4O4.
What is the molecular weight of Xanthine, 7-(2,3-dihydroxypropyl)-3-isobutyl-1-methyl-?
The molecular weight of Xanthine, 7-(2,3-dihydroxypropyl)-3-isobutyl-1-methyl- is 296.14847 g/mol.
Where can I buy Xanthine, 7-(2,3-dihydroxypropyl)-3-isobutyl-1-methyl-?
You can request a quote for Xanthine, 7-(2,3-dihydroxypropyl)-3-isobutyl-1-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Xanthine, 7-(2,3-dihydroxypropyl)-3-isobutyl-1-methyl-?
Yes, CoreyChem provides custom synthesis services for Xanthine, 7-(2,3-dihydroxypropyl)-3-isobutyl-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.