ChemDiv1_028667
TL;DR: ChemDiv1_028667 (CAS 321981-02-6) is a chemical compound with molecular formula C15H12BrClN4O3 and molecular weight 409.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(4-bromophenyl)-2-oxoethyl]-8-chloro-1,3-dimethylpurine-2,6-dione
Also Known As: ChemDiv1_028667, AB01291212-01, 7-[2-(4-bromophenyl)-2-oxoethyl]-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, AE-848/11905334, A3522/0149153
| Molecular Formula | C15H12BrClN4O3 |
|---|---|
| Molecular Weight | 409.98 g/mol |
| LogP | 1.7325 |
| Topological Polar Surface Area | 78.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.97812 |
| Heavy Atoms | 24 |
| Complexity | 1079.2678 |
Chemical Identifiers
| CAS Number | 321981-02-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)C3=CC=C(C=C3)Br |
Product Overview
ChemDiv1_028667 (CAS 321981-02-6), with molecular formula C15H12BrClN4O3 and molecular weight 409.98 g/mol. IUPAC: 7-[2-(4-bromophenyl)-2-oxoethyl]-8-chloro-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of ChemDiv1_028667
Property Insights of ChemDiv1_028667
The XLogP value of 1.7325 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_028667. The TPSA of 78.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028667. Following Lipinski's Rule of Five, ChemDiv1_028667 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 ChemDiv1_028667?
The CAS number of ChemDiv1_028667 is 321981-02-6.
What is the molecular formula of ChemDiv1_028667?
The molecular formula of ChemDiv1_028667 is C15H12BrClN4O3.
What is the molecular weight of ChemDiv1_028667?
The molecular weight of ChemDiv1_028667 is 409.98 g/mol.
Where can I buy ChemDiv1_028667?
You can request a quote for ChemDiv1_028667 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028667?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028667 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.