TL;DR: Benzo(b)thiophen-3(2H)-one, 4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 1,1-dioxide (CAS 155857-35-5) is a chemical compound with molecular formula C23H23NO6S and molecular weight 441.1246 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methoxy-7-[(9E,12E)-13-methoxy-7-methyl-3-oxa-11-azatricyclo[6.5.1.04,14]tetradeca-1,8(14),9,12-tetraen-9-yl]-1,1-dioxo-1-benzothiophen-3-one
Also Known As: Benzo(b)thiophen-3(2H)-one, 4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 1,1-dioxide
| Molecular Formula | C23H23NO6S |
| Molecular Weight | 441.1246 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 99.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.1246 Da |
| Heavy Atoms | 31 |
| Complexity | 1030.0 |
| SMILES | CC1CCC2C3=C1/C(=C\N/C=C(\C3=CO2)/OC)/C4=C5C(=C(C=C4)OC)C(=O)CS5(=O)=O |
| InChIKey | DOHJBOFUALVCRW-UOJMFYRESA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(b)thiophen-3(2H)-one, 4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 1,1-dioxide. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(b)thiophen-3(2H)-one, 4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 1,1-dioxide. Following Lipinski's Rule of Five, Benzo(b)thiophen-3(2H)-one, 4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 1,1-dioxide has 1 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 Benzo(b)thiophen-3(2H)-one, 4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 1,1-dioxide is 155857-35-5.
The molecular formula of Benzo(b)thiophen-3(2H)-one, 4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 1,1-dioxide is C23H23NO6S.
The molecular weight of Benzo(b)thiophen-3(2H)-one, 4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 1,1-dioxide is 441.1246 g/mol.
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