7-(4-Hydroxybutyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
TL;DR: 7-(4-Hydroxybutyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione (CAS 89751-98-4) 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-(4-hydroxybutyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 1,3-Dimethyl-7-(4-hydroxybutyl)xanthine, 7-(4-hydroxybutyl)-1,3-dimethylpurine-2,6-dione, J1.142.819C, 7-(4-hydroxybutyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione, 7-(4-Hydroxy-butyl)-1,3-dimethyl-3,7-dihydro-purin-2,6-dion
| Molecular Formula | C11H16N4O3 |
|---|---|
| Molecular Weight | 252.12 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.12224 |
| Heavy Atoms | 18 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 89751-98-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCO |
| InChIKey | KPFQHJNTWKDPPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-(4-Hydroxybutyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione (CAS 89751-98-4), with molecular formula C11H16N4O3 and molecular weight 252.12 g/mol. IUPAC: 7-(4-hydroxybutyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(4-Hydroxybutyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
Property Insights of 7-(4-Hydroxybutyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
The XLogP value of -0.5 indicates that 7-(4-Hydroxybutyl)-1,3-dimethyl-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 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-Hydroxybutyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(4-Hydroxybutyl)-1,3-dimethyl-3,7-dihydro-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 7-(4-Hydroxybutyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
The CAS number of 7-(4-Hydroxybutyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione is 89751-98-4.
What is the molecular formula of 7-(4-Hydroxybutyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
The molecular formula of 7-(4-Hydroxybutyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione is C11H16N4O3.
What is the molecular weight of 7-(4-Hydroxybutyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
The molecular weight of 7-(4-Hydroxybutyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione is 252.12 g/mol.
Where can I buy 7-(4-Hydroxybutyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
You can request a quote for 7-(4-Hydroxybutyl)-1,3-dimethyl-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 7-(4-Hydroxybutyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-Hydroxybutyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.