8-BR-7-(2-(4-BR-Phenyl)-2-oxo-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
TL;DR: 8-BR-7-(2-(4-BR-Phenyl)-2-oxo-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (CAS 19977-30-1) is a chemical compound with molecular formula C15H12Br2N4O3 and molecular weight 453.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
Also Known As: ChemDiv1_022351, 8-bromo-7-(2-(4-bromophenyl)-2-oxoethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, BAS 00286867, 8-bromo-7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione, F1008-0316
| Molecular Formula | C15H12Br2N4O3 |
|---|---|
| Molecular Weight | 453.93 g/mol |
| LogP | 1.8416 |
| Topological Polar Surface Area | 78.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 453.9276 |
| Heavy Atoms | 24 |
| Complexity | 1077.2678 |
Chemical Identifiers
| CAS Number | 19977-30-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(=O)C3=CC=C(C=C3)Br |
Product Overview
8-BR-7-(2-(4-BR-Phenyl)-2-oxo-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (CAS 19977-30-1), with molecular formula C15H12Br2N4O3 and molecular weight 453.93 g/mol. IUPAC: 8-bromo-7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-BR-7-(2-(4-BR-Phenyl)-2-oxo-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
Property Insights of 8-BR-7-(2-(4-BR-Phenyl)-2-oxo-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 1.8416 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-BR-7-(2-(4-BR-Phenyl)-2-oxo-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione. The TPSA of 78.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-BR-7-(2-(4-BR-Phenyl)-2-oxo-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 8-BR-7-(2-(4-BR-Phenyl)-2-oxo-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione has 0 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-BR-7-(2-(4-BR-Phenyl)-2-oxo-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 8-BR-7-(2-(4-BR-Phenyl)-2-oxo-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione is 19977-30-1.
What is the molecular formula of 8-BR-7-(2-(4-BR-Phenyl)-2-oxo-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 8-BR-7-(2-(4-BR-Phenyl)-2-oxo-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione is C15H12Br2N4O3.
What is the molecular weight of 8-BR-7-(2-(4-BR-Phenyl)-2-oxo-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 8-BR-7-(2-(4-BR-Phenyl)-2-oxo-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione is 453.93 g/mol.
Where can I buy 8-BR-7-(2-(4-BR-Phenyl)-2-oxo-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 8-BR-7-(2-(4-BR-Phenyl)-2-oxo-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-BR-7-(2-(4-BR-Phenyl)-2-oxo-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-BR-7-(2-(4-BR-Phenyl)-2-oxo-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.