TL;DR: RefChem:305208 (CAS 116786-75-5) is a chemical compound with molecular formula C19H16N4O6 and molecular weight 396.107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-phenyl-2-(3,4,5-trimethoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
Also Known As: 5H-1,3,4-Oxadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 6-phenyl-2-(3,4,5-trimethoxyphenyl)-, 6-Phenyl-2-(3,4,5-trimethoxyphenyl)-5H-1,3,4-oxadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 6-phenyl-2-(3,4,5-trimethoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione, 6-Phenyl-2-(3,4,5-trimethoxyphenyl)-5H-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7(6H)-dione
| Molecular Formula | C19H16N4O6 |
| Molecular Weight | 396.107 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.107 Da |
| Heavy Atoms | 29 |
| Complexity | 705.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN3C(=NC(=O)N(C3=O)C4=CC=CC=C4)O2 |
| InChIKey | LWAIGTQQXBWUDQ-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:305208. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:305208. Following Lipinski's Rule of Five, RefChem:305208 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:305208 is 116786-75-5.
The molecular formula of RefChem:305208 is C19H16N4O6.
The molecular weight of RefChem:305208 is 396.107 g/mol.
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