Purine-2,6-dione, 7-ethynyl-1,3-dimethyl-
TL;DR: Purine-2,6-dione, 7-ethynyl-1,3-dimethyl- (CAS 65288-56-4) is a chemical compound with molecular formula C9H8N4O2 and molecular weight 204.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethynyl-1,3-dimethylpurine-2,6-dione
Also Known As: 7-acetenyltheophylline, 7-ethynyl-1,3-dimethylpurine-2,6-dione, Purine-2,6-dione, 7-ethynyl-1,3-dimethyl-, 7-ethynyl-1,3-dimethyl-purine-2,6-dione, 7-Ethynyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C9H8N4O2 |
|---|---|
| Molecular Weight | 204.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.06473 |
| Heavy Atoms | 15 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 65288-56-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C#C |
| InChIKey | HVESQEUNWAWTIA-UHFFFAOYSA-N |
Product Overview
Purine-2,6-dione, 7-ethynyl-1,3-dimethyl- (CAS 65288-56-4), with molecular formula C9H8N4O2 and molecular weight 204.06 g/mol. IUPAC: 7-ethynyl-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of Purine-2,6-dione, 7-ethynyl-1,3-dimethyl-
Property Insights of Purine-2,6-dione, 7-ethynyl-1,3-dimethyl-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Purine-2,6-dione, 7-ethynyl-1,3-dimethyl-. With a topological polar surface area (TPSA) of 58.4 Ų, Purine-2,6-dione, 7-ethynyl-1,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Purine-2,6-dione, 7-ethynyl-1,3-dimethyl- 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 Purine-2,6-dione, 7-ethynyl-1,3-dimethyl-?
The CAS number of Purine-2,6-dione, 7-ethynyl-1,3-dimethyl- is 65288-56-4.
What is the molecular formula of Purine-2,6-dione, 7-ethynyl-1,3-dimethyl-?
The molecular formula of Purine-2,6-dione, 7-ethynyl-1,3-dimethyl- is C9H8N4O2.
What is the molecular weight of Purine-2,6-dione, 7-ethynyl-1,3-dimethyl-?
The molecular weight of Purine-2,6-dione, 7-ethynyl-1,3-dimethyl- is 204.06 g/mol.
Where can I buy Purine-2,6-dione, 7-ethynyl-1,3-dimethyl-?
You can request a quote for Purine-2,6-dione, 7-ethynyl-1,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Purine-2,6-dione, 7-ethynyl-1,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Purine-2,6-dione, 7-ethynyl-1,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.