![3-(4-Chlorophenyl)-9-methyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione structure](/static/products/1057/105774-49-0.webp)
3-(4-Chlorophenyl)-9-methyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione
TL;DR: 3-(4-Chlorophenyl)-9-methyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione (CAS 105774-49-0) is a chemical compound with molecular formula C14H11ClN6O2 and molecular weight 330.0632 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chlorophenyl)-9-methyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione
Also Known As: UPCMLD0ENAT5873642:001, AB00667635-01, 3-(4-chlorophenyl)-9-methyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione, F0373-0504, 3-(4-chlorophenyl)-6-hydroxy-9-methyl-4,10-dihydro[1,2,4]triazino[3,4-f]purin-8(9H)-one
Technical Specifications
| Molecular Formula | C14H11ClN6O2 |
| Molecular Weight | 330.0632 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 91.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.0632 Da |
| Heavy Atoms | 23 |
| Complexity | 561.0 |
| SMILES | CN1C2=C(C(=O)NC1=O)N3CC(=NNC3=N2)C4=CC=C(C=C4)Cl |
| InChIKey | BLSXLTJLRKSQIE-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Chlorophenyl)-9-methyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione
Property Insights of 3-(4-Chlorophenyl)-9-methyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chlorophenyl)-9-methyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Chlorophenyl)-9-methyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-9-methyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(4-Chlorophenyl)-9-methyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione?
The CAS number of 3-(4-Chlorophenyl)-9-methyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione is 105774-49-0.
What is the molecular formula of 3-(4-Chlorophenyl)-9-methyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione?
The molecular formula of 3-(4-Chlorophenyl)-9-methyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione is C14H11ClN6O2.
What is the molecular weight of 3-(4-Chlorophenyl)-9-methyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione?
The molecular weight of 3-(4-Chlorophenyl)-9-methyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione is 330.0632 g/mol.
Where can I buy 3-(4-Chlorophenyl)-9-methyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione?
You can request a quote for 3-(4-Chlorophenyl)-9-methyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Chlorophenyl)-9-methyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione?
Yes, CoreyChem provides custom synthesis services for 3-(4-Chlorophenyl)-9-methyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.