1H-Purine-2,6-dione, 3,7-diethyl-3,7-dihydro-1-methyl-
TL;DR: 1H-Purine-2,6-dione, 3,7-diethyl-3,7-dihydro-1-methyl- (CAS 53432-05-6) is a chemical compound with molecular formula C10H14N4O2 and molecular weight 222.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-diethyl-1-methylpurine-2,6-dione
Also Known As: 3,7-Diethyl-1-methylxanthine, 3,7-diethyl-1-methylpurine-2,6-dione, 1H-Purine-2,6-dione, 3,7-diethyl-3,7-dihydro-1-methyl-, 1H-Purine-2, 3,7-diethyl-3,7-dihydro-1-methyl-, 3,7-Diethyl-1-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C10H14N4O2 |
|---|---|
| Molecular Weight | 222.11 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.11168 |
| Heavy Atoms | 16 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 53432-05-6 |
|---|---|
| SMILES | CCN1C=NC2=C1C(=O)N(C(=O)N2CC)C |
| InChIKey | CZOUQPDHLMHRNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Purine-2,6-dione, 3,7-diethyl-3,7-dihydro-1-methyl- (CAS 53432-05-6), with molecular formula C10H14N4O2 and molecular weight 222.11 g/mol. IUPAC: 3,7-diethyl-1-methylpurine-2,6-dione.
Chemical Property Profile of 1H-Purine-2,6-dione, 3,7-diethyl-3,7-dihydro-1-methyl-
Property Insights of 1H-Purine-2,6-dione, 3,7-diethyl-3,7-dihydro-1-methyl-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Purine-2,6-dione, 3,7-diethyl-3,7-dihydro-1-methyl-. With a topological polar surface area (TPSA) of 58.4 Ų, 1H-Purine-2,6-dione, 3,7-diethyl-3,7-dihydro-1-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Purine-2,6-dione, 3,7-diethyl-3,7-dihydro-1-methyl- has 0 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 1H-Purine-2,6-dione, 3,7-diethyl-3,7-dihydro-1-methyl-?
The CAS number of 1H-Purine-2,6-dione, 3,7-diethyl-3,7-dihydro-1-methyl- is 53432-05-6.
What is the molecular formula of 1H-Purine-2,6-dione, 3,7-diethyl-3,7-dihydro-1-methyl-?
The molecular formula of 1H-Purine-2,6-dione, 3,7-diethyl-3,7-dihydro-1-methyl- is C10H14N4O2.
What is the molecular weight of 1H-Purine-2,6-dione, 3,7-diethyl-3,7-dihydro-1-methyl-?
The molecular weight of 1H-Purine-2,6-dione, 3,7-diethyl-3,7-dihydro-1-methyl- is 222.11 g/mol.
Where can I buy 1H-Purine-2,6-dione, 3,7-diethyl-3,7-dihydro-1-methyl-?
You can request a quote for 1H-Purine-2,6-dione, 3,7-diethyl-3,7-dihydro-1-methyl- 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-diethyl-3,7-dihydro-1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Purine-2,6-dione, 3,7-diethyl-3,7-dihydro-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.