3-(2-hydroxyethyl)-1,7-dimethylpurine-2,6-dione
TL;DR: 3-(2-hydroxyethyl)-1,7-dimethylpurine-2,6-dione (CAS 7501-74-8) is a chemical compound with molecular formula C9H12N4O3 and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxyethyl)-1,7-dimethylpurine-2,6-dione
Also Known As: 3-(2-hydroxyethyl)-1,7-dimethylpurine-2,6-dione, 3-(2-hydroxyethyl)-1,7-dimethyl-purine-2,6-dione, 3-(2-Hydroxyethyl)-1,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C9H12N4O3 |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.09094 |
| Heavy Atoms | 16 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 7501-74-8 |
|---|---|
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2CCO)C |
| InChIKey | IXMHBGPZAMEMMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-hydroxyethyl)-1,7-dimethylpurine-2,6-dione (CAS 7501-74-8), with molecular formula C9H12N4O3 and molecular weight 224.09 g/mol. IUPAC: 3-(2-hydroxyethyl)-1,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 3-(2-hydroxyethyl)-1,7-dimethylpurine-2,6-dione
Property Insights of 3-(2-hydroxyethyl)-1,7-dimethylpurine-2,6-dione
The XLogP value of -0.8 indicates that 3-(2-hydroxyethyl)-1,7-dimethylpurine-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-(2-hydroxyethyl)-1,7-dimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 3-(2-hydroxyethyl)-1,7-dimethylpurine-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-(2-hydroxyethyl)-1,7-dimethylpurine-2,6-dione?
The CAS number of 3-(2-hydroxyethyl)-1,7-dimethylpurine-2,6-dione is 7501-74-8.
What is the molecular formula of 3-(2-hydroxyethyl)-1,7-dimethylpurine-2,6-dione?
The molecular formula of 3-(2-hydroxyethyl)-1,7-dimethylpurine-2,6-dione is C9H12N4O3.
What is the molecular weight of 3-(2-hydroxyethyl)-1,7-dimethylpurine-2,6-dione?
The molecular weight of 3-(2-hydroxyethyl)-1,7-dimethylpurine-2,6-dione is 224.09 g/mol.
Where can I buy 3-(2-hydroxyethyl)-1,7-dimethylpurine-2,6-dione?
You can request a quote for 3-(2-hydroxyethyl)-1,7-dimethylpurine-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-(2-hydroxyethyl)-1,7-dimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-hydroxyethyl)-1,7-dimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.