7-Ethyl-3-methyl-1,3,7-trihydropurine-2,6-dione
TL;DR: 7-Ethyl-3-methyl-1,3,7-trihydropurine-2,6-dione (CAS 55242-68-7) is a chemical compound with molecular formula C8H10N4O2 and molecular weight 194.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethyl-3-methylpurine-2,6-dione
Also Known As: 7-ethyl-3-methylpurine-2,6-dione, 7-ethyl-3-methylxanthine, 7-ethyl-3-methyl-xanthine, 7-Ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-ethyl-3-methyl-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C8H10N4O2 |
|---|---|
| Molecular Weight | 194.08 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.08037 |
| Heavy Atoms | 14 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 55242-68-7 |
|---|---|
| SMILES | CCN1C=NC2=C1C(=O)NC(=O)N2C |
| InChIKey | GISWGHGEIIOKGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Ethyl-3-methyl-1,3,7-trihydropurine-2,6-dione (CAS 55242-68-7), with molecular formula C8H10N4O2 and molecular weight 194.08 g/mol. IUPAC: 7-ethyl-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-Ethyl-3-methyl-1,3,7-trihydropurine-2,6-dione
Property Insights of 7-Ethyl-3-methyl-1,3,7-trihydropurine-2,6-dione
The XLogP value of -0.5 indicates that 7-Ethyl-3-methyl-1,3,7-trihydropurine-2,6-dione 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 7-Ethyl-3-methyl-1,3,7-trihydropurine-2,6-dione. Following Lipinski's Rule of Five, 7-Ethyl-3-methyl-1,3,7-trihydropurine-2,6-dione 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 7-Ethyl-3-methyl-1,3,7-trihydropurine-2,6-dione?
The CAS number of 7-Ethyl-3-methyl-1,3,7-trihydropurine-2,6-dione is 55242-68-7.
What is the molecular formula of 7-Ethyl-3-methyl-1,3,7-trihydropurine-2,6-dione?
The molecular formula of 7-Ethyl-3-methyl-1,3,7-trihydropurine-2,6-dione is C8H10N4O2.
What is the molecular weight of 7-Ethyl-3-methyl-1,3,7-trihydropurine-2,6-dione?
The molecular weight of 7-Ethyl-3-methyl-1,3,7-trihydropurine-2,6-dione is 194.08 g/mol.
Where can I buy 7-Ethyl-3-methyl-1,3,7-trihydropurine-2,6-dione?
You can request a quote for 7-Ethyl-3-methyl-1,3,7-trihydropurine-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-Ethyl-3-methyl-1,3,7-trihydropurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Ethyl-3-methyl-1,3,7-trihydropurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.