3,7-Dimethyl-1-propargylxanthine
TL;DR: 3,7-Dimethyl-1-propargylxanthine (CAS 14114-46-6) is a chemical compound with molecular formula C10H10N4O2 and molecular weight 218.08037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione
Also Known As: 3,7-Dimethyl-1-propargylxanthine, DMPX, starbld0000258, 3,7-Dimethyl-1-(prop-2-yn-1-yl)-1H-purine-2,6(3H,7H)-dione, Lopac-D-134
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H10N4O2 |
| Molecular Weight | 218.08037 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.08037 Da |
| Heavy Atoms | 16 |
| Complexity | 386.0 |
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)CC#C |
| InChIKey | IORPOFJLSIHJOG-UHFFFAOYSA-N |
Chemical Property Profile of 3,7-Dimethyl-1-propargylxanthine
Property Insights of 3,7-Dimethyl-1-propargylxanthine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dimethyl-1-propargylxanthine. With a topological polar surface area (TPSA) of 58.4 Ų, 3,7-Dimethyl-1-propargylxanthine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethyl-1-propargylxanthine 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
What is the CAS number of 3,7-Dimethyl-1-propargylxanthine?
The CAS number of 3,7-Dimethyl-1-propargylxanthine is 14114-46-6.
What is the molecular formula of 3,7-Dimethyl-1-propargylxanthine?
The molecular formula of 3,7-Dimethyl-1-propargylxanthine is C10H10N4O2.
What is the molecular weight of 3,7-Dimethyl-1-propargylxanthine?
The molecular weight of 3,7-Dimethyl-1-propargylxanthine is 218.08037 g/mol.
Where can I buy 3,7-Dimethyl-1-propargylxanthine?
You can request a quote for 3,7-Dimethyl-1-propargylxanthine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,7-Dimethyl-1-propargylxanthine?
Yes, CoreyChem provides custom synthesis services for 3,7-Dimethyl-1-propargylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.