1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxybutyl)-
TL;DR: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxybutyl)- (CAS 56560-67-9) 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-hydroxybutyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(beta-Hydroxybutyl)theophylline, Theophylline, 7-(2-hydroxybutyl)-, 5-26-14-00067 (Beilstein Handbook Reference), 7-(2-hydroxybutyl)-1,3-dimethylpurine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxybutyl)-
| Molecular Formula | C11H16N4O3 |
|---|---|
| Molecular Weight | 252.12 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.12224 |
| Heavy Atoms | 18 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 56560-67-9 |
|---|---|
| SMILES | CCC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O |
| InChIKey | FVYWRRDRUXVGII-UHFFFAOYSA-N |
Product Overview
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxybutyl)- (CAS 56560-67-9), with molecular formula C11H16N4O3 and molecular weight 252.12 g/mol. IUPAC: 7-(2-hydroxybutyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxybutyl)-
Property Insights of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxybutyl)-
The XLogP value of -0.2 indicates that 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxybutyl)- 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 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxybutyl)-. Following Lipinski's Rule of Five, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxybutyl)- 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 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxybutyl)-?
The CAS number of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxybutyl)- is 56560-67-9.
What is the molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxybutyl)-?
The molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxybutyl)- is C11H16N4O3.
What is the molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxybutyl)-?
The molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxybutyl)- is 252.12 g/mol.
Where can I buy 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxybutyl)-?
You can request a quote for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxybutyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxybutyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxybutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.