3-Ethyl-1,7-dimethyl-purine-2,6-dione
TL;DR: 3-Ethyl-1,7-dimethyl-purine-2,6-dione (CAS 7464-74-6) 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-ethyl-1,7-dimethylpurine-2,6-dione
Also Known As: Theobromine ethyl, 3-ethyl-1,7-dimethylpurine-2,6-dione, 3-ethyl-1,7-dimethyl-purine-2,6-dione, 3,7-Dihydro-1,7-dimethyl-3-ethyl-1H-purine-2,6-dione, 3-Ethyl-1,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C9H12N4O2 |
|---|---|
| Molecular Weight | 208.10 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.09602 |
| Heavy Atoms | 15 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 7464-74-6 |
|---|---|
| SMILES | CCN1C2=C(C(=O)N(C1=O)C)N(C=N2)C |
| InChIKey | KHZSLIYYSMHPLX-UHFFFAOYSA-N |
Product Overview
3-Ethyl-1,7-dimethyl-purine-2,6-dione (CAS 7464-74-6), with molecular formula C9H12N4O2 and molecular weight 208.10 g/mol. IUPAC: 3-ethyl-1,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 3-Ethyl-1,7-dimethyl-purine-2,6-dione
Property Insights of 3-Ethyl-1,7-dimethyl-purine-2,6-dione
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-1,7-dimethyl-purine-2,6-dione. With a topological polar surface area (TPSA) of 58.4 Ų, 3-Ethyl-1,7-dimethyl-purine-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-1,7-dimethyl-purine-2,6-dione 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 3-Ethyl-1,7-dimethyl-purine-2,6-dione?
The CAS number of 3-Ethyl-1,7-dimethyl-purine-2,6-dione is 7464-74-6.
What is the molecular formula of 3-Ethyl-1,7-dimethyl-purine-2,6-dione?
The molecular formula of 3-Ethyl-1,7-dimethyl-purine-2,6-dione is C9H12N4O2.
What is the molecular weight of 3-Ethyl-1,7-dimethyl-purine-2,6-dione?
The molecular weight of 3-Ethyl-1,7-dimethyl-purine-2,6-dione is 208.10 g/mol.
Where can I buy 3-Ethyl-1,7-dimethyl-purine-2,6-dione?
You can request a quote for 3-Ethyl-1,7-dimethyl-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 3-Ethyl-1,7-dimethyl-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-1,7-dimethyl-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.