8-(3,4-Dichloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
TL;DR: 8-(3,4-Dichloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (CAS 54013-58-0) is a chemical compound with molecular formula C13H10Cl2N4O2 and molecular weight 324.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3,4-dichlorophenyl)-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-(3,4-dichlorophenyl)-1,3-dimethyl-7H-purine-2,6-dione, 8-(3,4-Dichloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione, 8-(3,4-Dichlorophenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C13H10Cl2N4O2 |
|---|---|
| Molecular Weight | 324.02 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 324.01807 |
| Heavy Atoms | 21 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 54013-58-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC(=C(C=C3)Cl)Cl |
| InChIKey | WRSLFYKLMCIMDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-(3,4-Dichloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (CAS 54013-58-0), with molecular formula C13H10Cl2N4O2 and molecular weight 324.02 g/mol. IUPAC: 8-(3,4-dichlorophenyl)-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-(3,4-Dichloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
Property Insights of 8-(3,4-Dichloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 3.5 indicates that 8-(3,4-Dichloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(3,4-Dichloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(3,4-Dichloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione has 1 hydrogen bond donor(s) and 3 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-(3,4-Dichloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 8-(3,4-Dichloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione is 54013-58-0.
What is the molecular formula of 8-(3,4-Dichloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 8-(3,4-Dichloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione is C13H10Cl2N4O2.
What is the molecular weight of 8-(3,4-Dichloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 8-(3,4-Dichloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione is 324.02 g/mol.
Where can I buy 8-(3,4-Dichloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 8-(3,4-Dichloro-phenyl)-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-(3,4-Dichloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(3,4-Dichloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.