1,3-dimethyl-7-(3-methylbut-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 1,3-dimethyl-7-(3-methylbut-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione (CAS 374708-38-0) is a chemical compound with molecular formula C12H16N4O2 and molecular weight 248.12732 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dimethyl-7-(3-methylbut-2-enyl)purine-2,6-dione
Also Known As: n7-prenyl theophylline, 7-prenyl-theophylline [M+H]+, J3.366.720E, 1,3-dimethyl-7-(3-methylbut-2-enyl)purine-2,6-dione, 1,3-dimethyl-7-(3-methylbut-2-en-1-yl)-1H-purine-2,6(3H,7H)-dione
Technical Specifications
| Molecular Formula | C12H16N4O2 |
| Molecular Weight | 248.12732 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.12732 Da |
| Heavy Atoms | 18 |
| Complexity | 403.0 |
| SMILES | CC(=CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)C |
| InChIKey | JHQSOHPXNWCALX-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-dimethyl-7-(3-methylbut-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 1,3-dimethyl-7-(3-methylbut-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-7-(3-methylbut-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione. With a topological polar surface area (TPSA) of 58.4 Ų, 1,3-dimethyl-7-(3-methylbut-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-dimethyl-7-(3-methylbut-2-en-1-yl)-3,7-dihydro-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 1,3-dimethyl-7-(3-methylbut-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 1,3-dimethyl-7-(3-methylbut-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione is 374708-38-0.
What is the molecular formula of 1,3-dimethyl-7-(3-methylbut-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 1,3-dimethyl-7-(3-methylbut-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione is C12H16N4O2.
What is the molecular weight of 1,3-dimethyl-7-(3-methylbut-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 1,3-dimethyl-7-(3-methylbut-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione is 248.12732 g/mol.
Where can I buy 1,3-dimethyl-7-(3-methylbut-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 1,3-dimethyl-7-(3-methylbut-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-dimethyl-7-(3-methylbut-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 1,3-dimethyl-7-(3-methylbut-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.