TL;DR: 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)- (CAS 125766-44-1) is a chemical compound with molecular formula C20H18N4O5S and molecular weight 426.0998 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione
Also Known As: 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-, 6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione, 6-(4-Methylphenyl)-2-(3,4,5-trimethoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7(6H)-dione, BRN 6015180
| Molecular Formula | C20H18N4O5S |
| Molecular Weight | 426.0998 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.0998 Da |
| Heavy Atoms | 30 |
| Complexity | 737.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=O)N=C3N(C2=O)N=C(S3)C4=CC(=C(C(=C4)OC)OC)OC |
| InChIKey | MIKRPUIPQFMYCS-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-. Following Lipinski's Rule of Five, 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)- 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 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)- is 125766-44-1.
The molecular formula of 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)- is C20H18N4O5S.
The molecular weight of 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)- is 426.0998 g/mol.
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