TL;DR: 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(2,4-dichlorophenyl)-9-methoxy- (CAS 136633-21-1) is a chemical compound with molecular formula C19H11Cl2N5OS and molecular weight 427.00613 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(2,4-dichlorophenyl)-14-methoxy-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene
Also Known As: 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(2,4-dichlorophenyl)-9-methoxy-, 3-(2,4-Dichlorophenyl)-9-methoxy[1,2,4]triazolo[3',4':2,3][1,3,4]thiadiazepino[7,6-b]quinoline
| Molecular Formula | C19H11Cl2N5OS |
| Molecular Weight | 427.00613 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 90.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 427.00613 Da |
| Heavy Atoms | 28 |
| Complexity | 601.0 |
| SMILES | COC1=CC2=CC3=C(N=C2C=C1)SC4=NN=C(N4N=C3)C5=C(C=C(C=C5)Cl)Cl |
| InChIKey | PMACAZMFARBBLF-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(2,4-dichlorophenyl)-9-methoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(2,4-dichlorophenyl)-9-methoxy-. Following Lipinski's Rule of Five, 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(2,4-dichlorophenyl)-9-methoxy- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(2,4-dichlorophenyl)-9-methoxy- is 136633-21-1.
The molecular formula of 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(2,4-dichlorophenyl)-9-methoxy- is C19H11Cl2N5OS.
The molecular weight of 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(2,4-dichlorophenyl)-9-methoxy- is 427.00613 g/mol.
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