8-(2,5-Dichlorophenoxy)-1,3,7-trimethylpurine-2,6-dione
TL;DR: 8-(2,5-Dichlorophenoxy)-1,3,7-trimethylpurine-2,6-dione (CAS 332115-97-6) is a chemical compound with molecular formula C14H12Cl2N4O3 and molecular weight 354.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2,5-dichlorophenoxy)-1,3,7-trimethylpurine-2,6-dione
Also Known As: BAS 01128580, 8-(2,5-dichlorophenoxy)-1,3,7-trimethylpurine-2,6-dione, 8-(2,5-dichlorophenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-(2,5-Dichloro-phenoxy)-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C14H12Cl2N4O3 |
|---|---|
| Molecular Weight | 354.03 g/mol |
| LogP | 2.0698 |
| Topological Polar Surface Area | 71.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.02866 |
| Heavy Atoms | 23 |
| Complexity | 1048.8278 |
Chemical Identifiers
| CAS Number | 332115-97-6 |
|---|---|
| SMILES | CN1C2=C(N=C1OC3=C(C=CC(=C3)Cl)Cl)N(C(=O)N(C2=O)C)C |
Product Overview
8-(2,5-Dichlorophenoxy)-1,3,7-trimethylpurine-2,6-dione (CAS 332115-97-6), with molecular formula C14H12Cl2N4O3 and molecular weight 354.03 g/mol. IUPAC: 8-(2,5-dichlorophenoxy)-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of 8-(2,5-Dichlorophenoxy)-1,3,7-trimethylpurine-2,6-dione
Property Insights of 8-(2,5-Dichlorophenoxy)-1,3,7-trimethylpurine-2,6-dione
The XLogP value of 2.0698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(2,5-Dichlorophenoxy)-1,3,7-trimethylpurine-2,6-dione. The TPSA of 71.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(2,5-Dichlorophenoxy)-1,3,7-trimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-(2,5-Dichlorophenoxy)-1,3,7-trimethylpurine-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-(2,5-Dichlorophenoxy)-1,3,7-trimethylpurine-2,6-dione?
The CAS number of 8-(2,5-Dichlorophenoxy)-1,3,7-trimethylpurine-2,6-dione is 332115-97-6.
What is the molecular formula of 8-(2,5-Dichlorophenoxy)-1,3,7-trimethylpurine-2,6-dione?
The molecular formula of 8-(2,5-Dichlorophenoxy)-1,3,7-trimethylpurine-2,6-dione is C14H12Cl2N4O3.
What is the molecular weight of 8-(2,5-Dichlorophenoxy)-1,3,7-trimethylpurine-2,6-dione?
The molecular weight of 8-(2,5-Dichlorophenoxy)-1,3,7-trimethylpurine-2,6-dione is 354.03 g/mol.
Where can I buy 8-(2,5-Dichlorophenoxy)-1,3,7-trimethylpurine-2,6-dione?
You can request a quote for 8-(2,5-Dichlorophenoxy)-1,3,7-trimethylpurine-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-(2,5-Dichlorophenoxy)-1,3,7-trimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(2,5-Dichlorophenoxy)-1,3,7-trimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.