TL;DR: 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(3,4,5-trimethoxyphenyl)- (CAS 126598-30-9) is a chemical compound with molecular formula C15H16N4O5S and molecular weight 364.08414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetic acid
Also Known As: 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(3,4,5-trimethoxyphenyl)-, 3-(3,4,5-Trimethoxyphenyl)-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 2-[3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetic acid, 7H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazine-6-aceticacid, 3-(3,4,5-trimethoxyphenyl)-, 2-(3-(3,4,5-Trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)acetic acid
| Molecular Formula | C15H16N4O5S |
| Molecular Weight | 364.08414 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.08414 Da |
| Heavy Atoms | 25 |
| Complexity | 508.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN=C3N2N=C(CS3)CC(=O)O |
| InChIKey | GPAAEEJPAGNGKP-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(3,4,5-trimethoxyphenyl)-. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(3,4,5-trimethoxyphenyl)-. Following Lipinski's Rule of Five, 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(3,4,5-trimethoxyphenyl)- has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(3,4,5-trimethoxyphenyl)- is 126598-30-9.
The molecular formula of 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(3,4,5-trimethoxyphenyl)- is C15H16N4O5S.
The molecular weight of 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(3,4,5-trimethoxyphenyl)- is 364.08414 g/mol.
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