TL;DR: Propanamide, 3-(2-methyldibenzo(b,e)thiepin-11(6H)-ylidene)-, (E)- (CAS 112930-70-8) is a chemical compound with molecular formula C18H17NOS and molecular weight 295.1031 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3E)-3-(2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)propanamide
Also Known As: Propanamide, 3-(2-methyldibenzo(b,e)thiepin-11(6H)-ylidene)-, (E)-, (E)-3-(2-Methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)propionamide, AE-641/30156005, 3-(2-methyldibenzo[b,e]thiepin-11(6H)-ylidene)propanamide, (3E)-3-(2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)propanamide
| Molecular Formula | C18H17NOS |
| Molecular Weight | 295.1031 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.1031 Da |
| Heavy Atoms | 21 |
| Complexity | 419.0 |
| SMILES | CC1=CC\2=C(C=C1)SCC3=CC=CC=C3/C2=C\CC(=O)N |
| InChIKey | UAKUOWLWHWAYSL-VIZOYTHASA-N |
The XLogP value of 3.4 indicates that Propanamide, 3-(2-methyldibenzo(b,e)thiepin-11(6H)-ylidene)-, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanamide, 3-(2-methyldibenzo(b,e)thiepin-11(6H)-ylidene)-, (E)-. Following Lipinski's Rule of Five, Propanamide, 3-(2-methyldibenzo(b,e)thiepin-11(6H)-ylidene)-, (E)- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Propanamide, 3-(2-methyldibenzo(b,e)thiepin-11(6H)-ylidene)-, (E)- is 112930-70-8.
The molecular formula of Propanamide, 3-(2-methyldibenzo(b,e)thiepin-11(6H)-ylidene)-, (E)- is C18H17NOS.
The molecular weight of Propanamide, 3-(2-methyldibenzo(b,e)thiepin-11(6H)-ylidene)-, (E)- is 295.1031 g/mol.
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