TL;DR: 4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 7-chloro-1-((4-methyl-1-piperazinyl)methyl)- (CAS 110215-99-1) is a chemical compound with molecular formula C15H18ClN5S and molecular weight 335.09714 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-chloro-1-[(4-methylpiperazin-1-yl)methyl]-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
Also Known As: 4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 7-chloro-1-((4-methyl-1-piperazinyl)methyl)-, 7-Chloro-1-((4-methyl-1-piperazinyl)methyl)-4H-s-triazolo(3,4-c)(1,4)benzothiazine, 7-chloro-1-[(4-methylpiperazin-1-yl)methyl]-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
| Molecular Formula | C15H18ClN5S |
| Molecular Weight | 335.09714 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 62.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.09714 Da |
| Heavy Atoms | 22 |
| Complexity | 392.0 |
| SMILES | CN1CCN(CC1)CC2=NN=C3N2C4=C(C=C(C=C4)Cl)SC3 |
| InChIKey | ZBYMLYHIONOQEC-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 7-chloro-1-((4-methyl-1-piperazinyl)methyl)-. The TPSA of 62.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 7-chloro-1-((4-methyl-1-piperazinyl)methyl)-. Following Lipinski's Rule of Five, 4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 7-chloro-1-((4-methyl-1-piperazinyl)methyl)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 7-chloro-1-((4-methyl-1-piperazinyl)methyl)- is 110215-99-1.
The molecular formula of 4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 7-chloro-1-((4-methyl-1-piperazinyl)methyl)- is C15H18ClN5S.
The molecular weight of 4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 7-chloro-1-((4-methyl-1-piperazinyl)methyl)- is 335.09714 g/mol.
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