3,7-Dihydro-3,7-dimethyl-1-(2-methyl-2-propen-1-yl)-1H-purine-2,6-dione
TL;DR: 3,7-Dihydro-3,7-dimethyl-1-(2-methyl-2-propen-1-yl)-1H-purine-2,6-dione (CAS 63906-62-7) is a chemical compound with molecular formula C11H14N4O2 and molecular weight 234.11168 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7-dimethyl-1-(2-methylprop-2-enyl)purine-2,6-dione
Also Known As: 1-Methallyl theobromine, 1-Crotyl theobromine, 1-methallyltheobromine, Theobromine, 1-(2'-methylallyl)-, NCIOpen2_003898
Technical Specifications
| Molecular Formula | C11H14N4O2 |
| Molecular Weight | 234.11168 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.11168 Da |
| Heavy Atoms | 17 |
| Complexity | 382.0 |
| SMILES | CC(=C)CN1C(=O)C2=C(N=CN2C)N(C1=O)C |
| InChIKey | DMWQAGFXWKNDBE-UHFFFAOYSA-N |
Chemical Property Profile of 3,7-Dihydro-3,7-dimethyl-1-(2-methyl-2-propen-1-yl)-1H-purine-2,6-dione
Property Insights of 3,7-Dihydro-3,7-dimethyl-1-(2-methyl-2-propen-1-yl)-1H-purine-2,6-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dihydro-3,7-dimethyl-1-(2-methyl-2-propen-1-yl)-1H-purine-2,6-dione. With a topological polar surface area (TPSA) of 58.4 Ų, 3,7-Dihydro-3,7-dimethyl-1-(2-methyl-2-propen-1-yl)-1H-purine-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dihydro-3,7-dimethyl-1-(2-methyl-2-propen-1-yl)-1H-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
What is the CAS number of 3,7-Dihydro-3,7-dimethyl-1-(2-methyl-2-propen-1-yl)-1H-purine-2,6-dione?
The CAS number of 3,7-Dihydro-3,7-dimethyl-1-(2-methyl-2-propen-1-yl)-1H-purine-2,6-dione is 63906-62-7.
What is the molecular formula of 3,7-Dihydro-3,7-dimethyl-1-(2-methyl-2-propen-1-yl)-1H-purine-2,6-dione?
The molecular formula of 3,7-Dihydro-3,7-dimethyl-1-(2-methyl-2-propen-1-yl)-1H-purine-2,6-dione is C11H14N4O2.
What is the molecular weight of 3,7-Dihydro-3,7-dimethyl-1-(2-methyl-2-propen-1-yl)-1H-purine-2,6-dione?
The molecular weight of 3,7-Dihydro-3,7-dimethyl-1-(2-methyl-2-propen-1-yl)-1H-purine-2,6-dione is 234.11168 g/mol.
Where can I buy 3,7-Dihydro-3,7-dimethyl-1-(2-methyl-2-propen-1-yl)-1H-purine-2,6-dione?
You can request a quote for 3,7-Dihydro-3,7-dimethyl-1-(2-methyl-2-propen-1-yl)-1H-purine-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,7-Dihydro-3,7-dimethyl-1-(2-methyl-2-propen-1-yl)-1H-purine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 3,7-Dihydro-3,7-dimethyl-1-(2-methyl-2-propen-1-yl)-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.