8-Bromo-3-methyl-7-(1-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-Bromo-3-methyl-7-(1-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 101071-98-1) is a chemical compound with molecular formula C14H13BrN4O2 and molecular weight 348.0222 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-bromo-3-methyl-7-(1-phenylethyl)purine-2,6-dione
Also Known As: BAS 00162583, 8-bromo-3-methyl-7-(1-phenylethyl)purine-2,6-dione, 3-Methyl-7-, A-methylbenzyl-8-bromxanthine, 8-bromo-3-methyl-7-(1-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C14H13BrN4O2 |
| Molecular Weight | 348.0222 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.0222 Da |
| Heavy Atoms | 21 |
| Complexity | 441.0 |
| SMILES | CC(C1=CC=CC=C1)N2C3=C(N=C2Br)N(C(=O)NC3=O)C |
| InChIKey | MXVHGTHUSLQFTQ-UHFFFAOYSA-N |
Chemical Property Profile of 8-Bromo-3-methyl-7-(1-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-Bromo-3-methyl-7-(1-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Bromo-3-methyl-7-(1-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Bromo-3-methyl-7-(1-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-Bromo-3-methyl-7-(1-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione 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 8-Bromo-3-methyl-7-(1-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-Bromo-3-methyl-7-(1-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione is 101071-98-1.
What is the molecular formula of 8-Bromo-3-methyl-7-(1-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-Bromo-3-methyl-7-(1-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione is C14H13BrN4O2.
What is the molecular weight of 8-Bromo-3-methyl-7-(1-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-Bromo-3-methyl-7-(1-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione is 348.0222 g/mol.
Where can I buy 8-Bromo-3-methyl-7-(1-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-Bromo-3-methyl-7-(1-phenylethyl)-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 8-Bromo-3-methyl-7-(1-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 8-Bromo-3-methyl-7-(1-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.