ChemDiv1_019626
TL;DR: ChemDiv1_019626 (CAS 57445-11-1) is a chemical compound with molecular formula C16H15BrN4O4 and molecular weight 406.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
Also Known As: ChemDiv1_019626, 8-bromo-7-(2-(4-methoxyphenyl)-2-oxoethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, F0017-0474, 8-bromo-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C16H15BrN4O4 |
|---|---|
| Molecular Weight | 406.03 g/mol |
| LogP | 1.0877 |
| Topological Polar Surface Area | 88.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.02768 |
| Heavy Atoms | 25 |
| Complexity | 1092.4958 |
Chemical Identifiers
| CAS Number | 57445-11-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(=O)C3=CC=C(C=C3)OC |
Product Overview
ChemDiv1_019626 (CAS 57445-11-1), with molecular formula C16H15BrN4O4 and molecular weight 406.03 g/mol. IUPAC: 8-bromo-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of ChemDiv1_019626
Property Insights of ChemDiv1_019626
The XLogP value of 1.0877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_019626. The TPSA of 88.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_019626. Following Lipinski's Rule of Five, ChemDiv1_019626 has 0 hydrogen bond donor(s) and 5 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 ChemDiv1_019626?
The CAS number of ChemDiv1_019626 is 57445-11-1.
What is the molecular formula of ChemDiv1_019626?
The molecular formula of ChemDiv1_019626 is C16H15BrN4O4.
What is the molecular weight of ChemDiv1_019626?
The molecular weight of ChemDiv1_019626 is 406.03 g/mol.
Where can I buy ChemDiv1_019626?
You can request a quote for ChemDiv1_019626 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_019626?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_019626 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.