TL;DR: Hexanoic acid, 6-(6-methoxy-11H-pyrido(4,3-c)(2)benzazepin-11-ylidene)-, (E)- (CAS 127654-04-0) is a chemical compound with molecular formula C20H20N2O3 and molecular weight 336.1474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6E)-6-(6-methoxypyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid
Also Known As: Hexanoic acid, 6-(6-methoxy-11H-pyrido(4,3-c)(2)benzazepin-11-ylidene)-, (E)-, (6E)-6-(6-methoxypyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid, (E)-11-(5-Carboxypentylidene)-6-methoxy-11H-pyrido(4,3-c)(2)benzazepin, (E)-6-(6-Methoxy-11H-pyrido(4,3-c)(2)benzazepin-11-ylidene)hexanoic acid, 6-(6-methoxypyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid
| Molecular Formula | C20H20N2O3 |
| Molecular Weight | 336.1474 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.1474 Da |
| Heavy Atoms | 25 |
| Complexity | 529.0 |
| SMILES | COC1=NC2=C(C=NC=C2)/C(=C/CCCCC(=O)O)/C3=CC=CC=C31 |
| InChIKey | NNJWBTXUDRAEII-VIZOYTHASA-N |
The XLogP value of 3.0 indicates that Hexanoic acid, 6-(6-methoxy-11H-pyrido(4,3-c)(2)benzazepin-11-ylidene)-, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexanoic acid, 6-(6-methoxy-11H-pyrido(4,3-c)(2)benzazepin-11-ylidene)-, (E)-. Following Lipinski's Rule of Five, Hexanoic acid, 6-(6-methoxy-11H-pyrido(4,3-c)(2)benzazepin-11-ylidene)-, (E)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Hexanoic acid, 6-(6-methoxy-11H-pyrido(4,3-c)(2)benzazepin-11-ylidene)-, (E)- is 127654-04-0.
The molecular formula of Hexanoic acid, 6-(6-methoxy-11H-pyrido(4,3-c)(2)benzazepin-11-ylidene)-, (E)- is C20H20N2O3.
The molecular weight of Hexanoic acid, 6-(6-methoxy-11H-pyrido(4,3-c)(2)benzazepin-11-ylidene)-, (E)- is 336.1474 g/mol.
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