8-Chloro-1,3-dimethyl-9-phenacylpurine-2,6-dione
TL;DR: 8-Chloro-1,3-dimethyl-9-phenacylpurine-2,6-dione (CAS 353259-76-4) is a chemical compound with molecular formula C15H13ClN4O3 and molecular weight 332.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-1,3-dimethyl-9-phenacylpurine-2,6-dione
Also Known As: 8-chloro-1,3-dimethyl-9-phenacylpurine-2,6-dione, AI-204/31715062, 8-chloro-1,3-dimethyl-9-(2-oxo-2-phenylethyl)-3,9-dihydro-1H-purine-2,6-dione, 8-Chloro-1,3-dimethyl-9-(2-oxo-2-phenyl-ethyl)-3,9-dihydro-purine-2,6-dione, 8-chloro-1,3-dimethyl-9-(2-oxo-2-phenylethyl)-2,3,6,9-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C15H13ClN4O3 |
|---|---|
| Molecular Weight | 332.07 g/mol |
| LogP | 0.97 |
| Topological Polar Surface Area | 78.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.06763 |
| Heavy Atoms | 23 |
| Complexity | 1030.7871 |
Chemical Identifiers
| CAS Number | 353259-76-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)C3=CC=CC=C3)Cl |
Product Overview
8-Chloro-1,3-dimethyl-9-phenacylpurine-2,6-dione (CAS 353259-76-4), with molecular formula C15H13ClN4O3 and molecular weight 332.07 g/mol. IUPAC: 8-chloro-1,3-dimethyl-9-phenacylpurine-2,6-dione.
Chemical Property Profile of 8-Chloro-1,3-dimethyl-9-phenacylpurine-2,6-dione
Property Insights of 8-Chloro-1,3-dimethyl-9-phenacylpurine-2,6-dione
The XLogP value of 0.97 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Chloro-1,3-dimethyl-9-phenacylpurine-2,6-dione. The TPSA of 78.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Chloro-1,3-dimethyl-9-phenacylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-Chloro-1,3-dimethyl-9-phenacylpurine-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-Chloro-1,3-dimethyl-9-phenacylpurine-2,6-dione?
The CAS number of 8-Chloro-1,3-dimethyl-9-phenacylpurine-2,6-dione is 353259-76-4.
What is the molecular formula of 8-Chloro-1,3-dimethyl-9-phenacylpurine-2,6-dione?
The molecular formula of 8-Chloro-1,3-dimethyl-9-phenacylpurine-2,6-dione is C15H13ClN4O3.
What is the molecular weight of 8-Chloro-1,3-dimethyl-9-phenacylpurine-2,6-dione?
The molecular weight of 8-Chloro-1,3-dimethyl-9-phenacylpurine-2,6-dione is 332.07 g/mol.
Where can I buy 8-Chloro-1,3-dimethyl-9-phenacylpurine-2,6-dione?
You can request a quote for 8-Chloro-1,3-dimethyl-9-phenacylpurine-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-Chloro-1,3-dimethyl-9-phenacylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Chloro-1,3-dimethyl-9-phenacylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.