2,3,6,7-Tetrahydro-1,3-dimethyl-8-((4-chlorophenyl)methyl)-1H-purine-2,6-dione
TL;DR: 2,3,6,7-Tetrahydro-1,3-dimethyl-8-((4-chlorophenyl)methyl)-1H-purine-2,6-dione (CAS 109286-41-1) is a chemical compound with molecular formula C14H13ClN4O2 and molecular weight 304.0727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[(4-chlorophenyl)methyl]-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: NIOSH/UO8445150, Theophylline, 8-(p-chlorobenzyl)-, 8-(4-chlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 2,3,6,7-Tetrahydro-1,3-dimethyl-8-((4-chlorophenyl)methyl)-1H-purine-2,6-dione, 8-[(4-chlorophenyl)methyl]-1,3-dimethyl-7H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C14H13ClN4O2 |
| Molecular Weight | 304.0727 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.0727 Da |
| Heavy Atoms | 21 |
| Complexity | 439.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=CC=C(C=C3)Cl |
| InChIKey | FITFXSXBDCWXIG-UHFFFAOYSA-N |
Chemical Property Profile of 2,3,6,7-Tetrahydro-1,3-dimethyl-8-((4-chlorophenyl)methyl)-1H-purine-2,6-dione
Property Insights of 2,3,6,7-Tetrahydro-1,3-dimethyl-8-((4-chlorophenyl)methyl)-1H-purine-2,6-dione
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,6,7-Tetrahydro-1,3-dimethyl-8-((4-chlorophenyl)methyl)-1H-purine-2,6-dione. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,6,7-Tetrahydro-1,3-dimethyl-8-((4-chlorophenyl)methyl)-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 2,3,6,7-Tetrahydro-1,3-dimethyl-8-((4-chlorophenyl)methyl)-1H-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
What is the CAS number of 2,3,6,7-Tetrahydro-1,3-dimethyl-8-((4-chlorophenyl)methyl)-1H-purine-2,6-dione?
The CAS number of 2,3,6,7-Tetrahydro-1,3-dimethyl-8-((4-chlorophenyl)methyl)-1H-purine-2,6-dione is 109286-41-1.
What is the molecular formula of 2,3,6,7-Tetrahydro-1,3-dimethyl-8-((4-chlorophenyl)methyl)-1H-purine-2,6-dione?
The molecular formula of 2,3,6,7-Tetrahydro-1,3-dimethyl-8-((4-chlorophenyl)methyl)-1H-purine-2,6-dione is C14H13ClN4O2.
What is the molecular weight of 2,3,6,7-Tetrahydro-1,3-dimethyl-8-((4-chlorophenyl)methyl)-1H-purine-2,6-dione?
The molecular weight of 2,3,6,7-Tetrahydro-1,3-dimethyl-8-((4-chlorophenyl)methyl)-1H-purine-2,6-dione is 304.0727 g/mol.
Where can I buy 2,3,6,7-Tetrahydro-1,3-dimethyl-8-((4-chlorophenyl)methyl)-1H-purine-2,6-dione?
You can request a quote for 2,3,6,7-Tetrahydro-1,3-dimethyl-8-((4-chlorophenyl)methyl)-1H-purine-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3,6,7-Tetrahydro-1,3-dimethyl-8-((4-chlorophenyl)methyl)-1H-purine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 2,3,6,7-Tetrahydro-1,3-dimethyl-8-((4-chlorophenyl)methyl)-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.