1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-(2-phenylethyl)-
TL;DR: 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-(2-phenylethyl)- (CAS 101071-99-2) is a chemical compound with molecular formula C14H13BrN4O2 and molecular weight 348.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-3-methyl-7-(2-phenylethyl)purine-2,6-dione
Also Known As: 7-benzylmethyl-8-bromo-3-methylxanthine, 8-bromo-3-methyl-7-(2-phenylethyl)purine-2,6-dione, 8-bromo-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione, 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-(2-phenylethyl)-, 8-bromo-3-methyl-7-phenethylpurine-2,6-dione
| Molecular Formula | C14H13BrN4O2 |
|---|---|
| Molecular Weight | 348.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.0222 |
| Heavy Atoms | 21 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 101071-99-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCC3=CC=CC=C3 |
| InChIKey | LPIKUTPXASWEHJ-UHFFFAOYSA-N |
Product Overview
1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-(2-phenylethyl)- (CAS 101071-99-2), with molecular formula C14H13BrN4O2 and molecular weight 348.02 g/mol. IUPAC: 8-bromo-3-methyl-7-(2-phenylethyl)purine-2,6-dione.
Chemical Property Profile of 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-(2-phenylethyl)-
Property Insights of 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-(2-phenylethyl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-(2-phenylethyl)-. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-(2-phenylethyl)-. Following Lipinski's Rule of Five, 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-(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
Frequently Asked Questions
What is the CAS number of 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-(2-phenylethyl)-?
The CAS number of 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-(2-phenylethyl)- is 101071-99-2.
What is the molecular formula of 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-(2-phenylethyl)-?
The molecular formula of 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-(2-phenylethyl)- is C14H13BrN4O2.
What is the molecular weight of 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-(2-phenylethyl)-?
The molecular weight of 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-(2-phenylethyl)- is 348.02 g/mol.
Where can I buy 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-(2-phenylethyl)-?
You can request a quote for 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-(2-phenylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-(2-phenylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-(2-phenylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.