1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-phenylethyl)-
TL;DR: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-phenylethyl)- (CAS 126235-09-4) is a chemical compound with molecular formula C15H16N4O2 and molecular weight 284.12732 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dimethyl-8-(2-phenylethyl)-7H-purine-2,6-dione
Also Known As: Theophylline, 8-phenethyl-, NIOSH/UO8445900, 1,3-dimethyl-8-phenethyl-7H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-phenylethyl)-, 1,3-dimethyl-8-phenethyl-1H-purine-2,6(3H,7H)-dione
Technical Specifications
| Molecular Formula | C15H16N4O2 |
| Molecular Weight | 284.12732 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.12732 Da |
| Heavy Atoms | 21 |
| Complexity | 422.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCC3=CC=CC=C3 |
| InChIKey | YUCOATRZVINCPB-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-phenylethyl)-
Property Insights of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-phenylethyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-phenylethyl)-. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-phenylethyl)-. Following Lipinski's Rule of Five, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-phenylethyl)- has 1 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 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-phenylethyl)-?
The CAS number of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-phenylethyl)- is 126235-09-4.
What is the molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-phenylethyl)-?
The molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-phenylethyl)- is C15H16N4O2.
What is the molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-phenylethyl)-?
The molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-phenylethyl)- is 284.12732 g/mol.
Where can I buy 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-phenylethyl)-?
You can request a quote for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-phenylethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-phenylethyl)-?
Yes, CoreyChem provides custom synthesis services for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-phenylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.