3,7-Diethylxanthine
TL;DR: 3,7-Diethylxanthine (CAS 5253-70-3) is a chemical compound with molecular formula C9H12N4O2 and molecular weight 208.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-diethylpurine-2,6-dione
Also Known As: 3,7-diethylxanthine, 3,7-diethylpurine-2,6-dione, 3,7-diethyl-1H-purine-2,6(3H,7H)-dione, 3,7-Diethyl-6-hydroxy-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C9H12N4O2 |
|---|---|
| Molecular Weight | 208.10 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.09602 |
| Heavy Atoms | 15 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 5253-70-3 |
|---|---|
| SMILES | CCN1C=NC2=C1C(=O)NC(=O)N2CC |
| InChIKey | GGWIHGASQJEWBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-Diethylxanthine (CAS 5253-70-3), with molecular formula C9H12N4O2 and molecular weight 208.10 g/mol. IUPAC: 3,7-diethylpurine-2,6-dione.
Chemical Property Profile of 3,7-Diethylxanthine
Property Insights of 3,7-Diethylxanthine
The XLogP value of -0.1 indicates that 3,7-Diethylxanthine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Diethylxanthine. Following Lipinski's Rule of Five, 3,7-Diethylxanthine has 1 hydrogen bond donor(s) and 3 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-Diethylxanthine?
The CAS number of 3,7-Diethylxanthine is 5253-70-3.
What is the molecular formula of 3,7-Diethylxanthine?
The molecular formula of 3,7-Diethylxanthine is C9H12N4O2.
What is the molecular weight of 3,7-Diethylxanthine?
The molecular weight of 3,7-Diethylxanthine is 208.10 g/mol.
Where can I buy 3,7-Diethylxanthine?
You can request a quote for 3,7-Diethylxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Diethylxanthine?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Diethylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.