1-Allyl-3,7-dimethyl-8-phenylxanthine
TL;DR: 1-Allyl-3,7-dimethyl-8-phenylxanthine (CAS 149981-23-7) is a chemical compound with molecular formula C16H16N4O2 and molecular weight 296.12732 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7-dimethyl-8-phenyl-1-prop-2-enylpurine-2,6-dione
Also Known As: 1-ALLYL-3,7-DIMETHYL-8-PHENYLXANTHINE, 3,7-dimethyl-8-phenyl-1-prop-2-enylpurine-2,6-dione, 1-ALLYL-37-DIMETHYL-8-PHENYLXANTHINE, 1-Allyl-3,7-dimethyl-8-phenyl-1H-purine-2,6(3H,7H)-dione, 3,7-dimethyl-8-phenyl-1-prop-2-enyl-purine-2,6-dione
Technical Specifications
| Molecular Formula | C16H16N4O2 |
| Molecular Weight | 296.12732 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.12732 Da |
| Heavy Atoms | 22 |
| Complexity | 475.0 |
| SMILES | CN1C2=C(N=C1C3=CC=CC=C3)N(C(=O)N(C2=O)CC=C)C |
| InChIKey | DKISSNPEWQAXRA-UHFFFAOYSA-N |
Chemical Property Profile of 1-Allyl-3,7-dimethyl-8-phenylxanthine
Property Insights of 1-Allyl-3,7-dimethyl-8-phenylxanthine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Allyl-3,7-dimethyl-8-phenylxanthine. With a topological polar surface area (TPSA) of 58.4 Ų, 1-Allyl-3,7-dimethyl-8-phenylxanthine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Allyl-3,7-dimethyl-8-phenylxanthine 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-Allyl-3,7-dimethyl-8-phenylxanthine?
The CAS number of 1-Allyl-3,7-dimethyl-8-phenylxanthine is 149981-23-7.
What is the molecular formula of 1-Allyl-3,7-dimethyl-8-phenylxanthine?
The molecular formula of 1-Allyl-3,7-dimethyl-8-phenylxanthine is C16H16N4O2.
What is the molecular weight of 1-Allyl-3,7-dimethyl-8-phenylxanthine?
The molecular weight of 1-Allyl-3,7-dimethyl-8-phenylxanthine is 296.12732 g/mol.
Where can I buy 1-Allyl-3,7-dimethyl-8-phenylxanthine?
You can request a quote for 1-Allyl-3,7-dimethyl-8-phenylxanthine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Allyl-3,7-dimethyl-8-phenylxanthine?
Yes, CoreyChem provides custom synthesis services for 1-Allyl-3,7-dimethyl-8-phenylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.