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)-, phenylhydrazone, 1,1-dioxide (CAS 155857-46-8) is a chemical compound with molecular formula C29H29N3O5S and molecular weight 531.1828 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(12E)-13-methoxy-9-[4-methoxy-3-(1-oxa-2,3-diazaspiro[3.5]nona-2,5,7-trien-7-yloxy)-2,3-dihydro-1-benzothiophen-7-yl]-7-methyl-3-oxa-11-azatricyclo[6.5.1.04,14]tetradeca-1,8(14),10,12-tetraene
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)-, phenylhydrazone, 1,1-dioxide
| Molecular Formula | C29H29N3O5S |
| Molecular Weight | 531.1828 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 531.1828 Da |
| Heavy Atoms | 38 |
| Complexity | 1200.0 |
| SMILES | CC1CCC2C3=C1C(C=N/C=C(\C3=CO2)/OC)C4=C5C(=C(C=C4)OC)C(CS5)OC6=CCC7(C=C6)N=NO7 |
| InChIKey | BNLPCSSVKVWDTH-PWCWEDBWSA-N |
The XLogP value of 3.5 indicates that 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)-, phenylhydrazone, 1,1-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 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)-, phenylhydrazone, 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)-, phenylhydrazone, 1,1-dioxide has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
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)-, phenylhydrazone, 1,1-dioxide is 155857-46-8.
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)-, phenylhydrazone, 1,1-dioxide is C29H29N3O5S.
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)-, phenylhydrazone, 1,1-dioxide is 531.1828 g/mol.
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