3,7-Dihydro-7-(2-hydroxy-2-methylpropyl)-1,3-dimethyl-1H-purine-2,6-dione
TL;DR: 3,7-Dihydro-7-(2-hydroxy-2-methylpropyl)-1,3-dimethyl-1H-purine-2,6-dione (CAS 56559-62-7) is a chemical compound with molecular formula C11H16N4O3 and molecular weight 252.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-hydroxy-2-methylpropyl)-1,3-dimethylpurine-2,6-dione
Also Known As: ISBUFYLLINE METABOLITE II, Theophylline, 7-(2-hydroxy-2-methylpropyl)-, 7-(beta-Methyl-beta-hydroxypropyl)theophylline, 5-26-14-00068 (Beilstein Handbook Reference), 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-2-methylpropyl)-
| Molecular Formula | C11H16N4O3 |
|---|---|
| Molecular Weight | 252.12 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.12224 |
| Heavy Atoms | 18 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 56559-62-7 |
|---|---|
| SMILES | CC(C)(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O |
| InChIKey | WIZRYWWFTQBUAD-UHFFFAOYSA-N |
Product Overview
3,7-Dihydro-7-(2-hydroxy-2-methylpropyl)-1,3-dimethyl-1H-purine-2,6-dione (CAS 56559-62-7), with molecular formula C11H16N4O3 and molecular weight 252.12 g/mol. IUPAC: 7-(2-hydroxy-2-methylpropyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 3,7-Dihydro-7-(2-hydroxy-2-methylpropyl)-1,3-dimethyl-1H-purine-2,6-dione
Property Insights of 3,7-Dihydro-7-(2-hydroxy-2-methylpropyl)-1,3-dimethyl-1H-purine-2,6-dione
The XLogP value of -0.6 indicates that 3,7-Dihydro-7-(2-hydroxy-2-methylpropyl)-1,3-dimethyl-1H-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Dihydro-7-(2-hydroxy-2-methylpropyl)-1,3-dimethyl-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 3,7-Dihydro-7-(2-hydroxy-2-methylpropyl)-1,3-dimethyl-1H-purine-2,6-dione has 1 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 3,7-Dihydro-7-(2-hydroxy-2-methylpropyl)-1,3-dimethyl-1H-purine-2,6-dione?
The CAS number of 3,7-Dihydro-7-(2-hydroxy-2-methylpropyl)-1,3-dimethyl-1H-purine-2,6-dione is 56559-62-7.
What is the molecular formula of 3,7-Dihydro-7-(2-hydroxy-2-methylpropyl)-1,3-dimethyl-1H-purine-2,6-dione?
The molecular formula of 3,7-Dihydro-7-(2-hydroxy-2-methylpropyl)-1,3-dimethyl-1H-purine-2,6-dione is C11H16N4O3.
What is the molecular weight of 3,7-Dihydro-7-(2-hydroxy-2-methylpropyl)-1,3-dimethyl-1H-purine-2,6-dione?
The molecular weight of 3,7-Dihydro-7-(2-hydroxy-2-methylpropyl)-1,3-dimethyl-1H-purine-2,6-dione is 252.12 g/mol.
Where can I buy 3,7-Dihydro-7-(2-hydroxy-2-methylpropyl)-1,3-dimethyl-1H-purine-2,6-dione?
You can request a quote for 3,7-Dihydro-7-(2-hydroxy-2-methylpropyl)-1,3-dimethyl-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 3,7-Dihydro-7-(2-hydroxy-2-methylpropyl)-1,3-dimethyl-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dihydro-7-(2-hydroxy-2-methylpropyl)-1,3-dimethyl-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.