TL;DR: 6,11-Dihydro-6-methyl-11-(1-methylethoxy)dibenzo(c,f)(1,2)thiazepine 5,5-dioxide (CAS 155444-04-5) is a chemical compound with molecular formula C17H19NO3S and molecular weight 317.10855 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methyl-11-propan-2-yloxy-11H-benzo[c][1,2]benzothiazepine 5,5-dioxide
Also Known As: 6,11-Dihydro-6-methyl-11-(1-methylethoxy)dibenzo(c,f)(1,2)thiazepine 5,5-dioxide, 6,11-Dihydro-11-(isopropoxy)-6-methyl-dibenzo(c,f)(1,2)thiazepine S,S-dioxide, Dibenzo(c,f)(1,2)thiazepine, 6,11-dihydro-6-methyl-11-(1-methylethoxy)-, 5,5-dioxide, 6-methyl-11-propan-2-yloxy-11H-benzo[c][1,2]benzothiazepine 5,5-dioxide, 6-Methyl-11-[(propan-2-yl)oxy]-6,11-dihydro-5H-5lambda~6~-dibenzo[c,f][1,2]thiazepine-5,5-dione
| Molecular Formula | C17H19NO3S |
| Molecular Weight | 317.10855 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 55.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.10855 Da |
| Heavy Atoms | 22 |
| Complexity | 485.0 |
| SMILES | CC(C)OC1C2=CC=CC=C2N(S(=O)(=O)C3=CC=CC=C13)C |
| InChIKey | SJTHGFILBODOCA-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,11-Dihydro-6-methyl-11-(1-methylethoxy)dibenzo(c,f)(1,2)thiazepine 5,5-dioxide. With a topological polar surface area (TPSA) of 55.0 Ų, 6,11-Dihydro-6-methyl-11-(1-methylethoxy)dibenzo(c,f)(1,2)thiazepine 5,5-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,11-Dihydro-6-methyl-11-(1-methylethoxy)dibenzo(c,f)(1,2)thiazepine 5,5-dioxide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6,11-Dihydro-6-methyl-11-(1-methylethoxy)dibenzo(c,f)(1,2)thiazepine 5,5-dioxide is 155444-04-5.
The molecular formula of 6,11-Dihydro-6-methyl-11-(1-methylethoxy)dibenzo(c,f)(1,2)thiazepine 5,5-dioxide is C17H19NO3S.
The molecular weight of 6,11-Dihydro-6-methyl-11-(1-methylethoxy)dibenzo(c,f)(1,2)thiazepine 5,5-dioxide is 317.10855 g/mol.
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