8-bromo-7-(2-hydroxy-2-phenylethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-bromo-7-(2-hydroxy-2-phenylethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 101072-17-7) is a chemical compound with molecular formula C14H13BrN4O3 and molecular weight 364.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-7-(2-hydroxy-2-phenylethyl)-3-methylpurine-2,6-dione
Also Known As: BAS 00162589, 8-bromo-7-(2-hydroxy-2-phenylethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-bromo-7-(2-hydroxy-2-phenylethyl)-3-methylpurine-2,6-dione, 8-Bromo-7-(2-hydroxy-2-phenyl-ethyl)-3-methyl-3,7-dihydro-purine-2,6-dione, 8-bromo-7-(2-hydroxy-2-phenylethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C14H13BrN4O3 |
|---|---|
| Molecular Weight | 364.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.0171 |
| Heavy Atoms | 22 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 101072-17-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(C3=CC=CC=C3)O |
| InChIKey | QWOVLPOLHYOJPZ-UHFFFAOYSA-N |
Product Overview
8-bromo-7-(2-hydroxy-2-phenylethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 101072-17-7), with molecular formula C14H13BrN4O3 and molecular weight 364.02 g/mol. IUPAC: 8-bromo-7-(2-hydroxy-2-phenylethyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-bromo-7-(2-hydroxy-2-phenylethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-bromo-7-(2-hydroxy-2-phenylethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-bromo-7-(2-hydroxy-2-phenylethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-bromo-7-(2-hydroxy-2-phenylethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-bromo-7-(2-hydroxy-2-phenylethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione has 2 hydrogen bond donor(s) and 4 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 8-bromo-7-(2-hydroxy-2-phenylethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-bromo-7-(2-hydroxy-2-phenylethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 101072-17-7.
What is the molecular formula of 8-bromo-7-(2-hydroxy-2-phenylethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-bromo-7-(2-hydroxy-2-phenylethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is C14H13BrN4O3.
What is the molecular weight of 8-bromo-7-(2-hydroxy-2-phenylethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-bromo-7-(2-hydroxy-2-phenylethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 364.02 g/mol.
Where can I buy 8-bromo-7-(2-hydroxy-2-phenylethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-bromo-7-(2-hydroxy-2-phenylethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-bromo-7-(2-hydroxy-2-phenylethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-bromo-7-(2-hydroxy-2-phenylethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.