TL;DR: 3H-Pyrido(3,4-b)indole, 4,9-dihydro-6-methoxy-1-(3-pyridinyl)- (CAS 110187-43-4) is a chemical compound with molecular formula C17H15N3O and molecular weight 277.12152 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methoxy-1-pyridin-3-yl-4,9-dihydro-3H-pyrido[3,4-b]indole
Also Known As: 6-Methoxy-1-(4-pyridinyl)-3,4-dihydro-beta-carboline, 3H-Pyrido(3,4-b)indole, 4,9-dihydro-6-methoxy-1-(3-pyridinyl)-, 4,9-Dihydro-6-methoxy-1-(3-pyridinyl)-3H-pyrido(3,4-b)indole, 6-methoxy-1-pyridin-3-yl-4,9-dihydro-3H-pyrido[3,4-b]indole, 4,9-Dihydro-6-methoxy-1-(3-pyridinyl)-3H-pyrido[3,4-b]indole
| Molecular Formula | C17H15N3O |
| Molecular Weight | 277.12152 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 50.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.12152 Da |
| Heavy Atoms | 21 |
| Complexity | 411.0 |
| SMILES | COC1=CC2=C(C=C1)NC3=C2CCN=C3C4=CN=CC=C4 |
| InChIKey | FFDSEOLECVEVHL-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Pyrido(3,4-b)indole, 4,9-dihydro-6-methoxy-1-(3-pyridinyl)-. With a topological polar surface area (TPSA) of 50.3 Ų, 3H-Pyrido(3,4-b)indole, 4,9-dihydro-6-methoxy-1-(3-pyridinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Pyrido(3,4-b)indole, 4,9-dihydro-6-methoxy-1-(3-pyridinyl)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3H-Pyrido(3,4-b)indole, 4,9-dihydro-6-methoxy-1-(3-pyridinyl)- is 110187-43-4.
The molecular formula of 3H-Pyrido(3,4-b)indole, 4,9-dihydro-6-methoxy-1-(3-pyridinyl)- is C17H15N3O.
The molecular weight of 3H-Pyrido(3,4-b)indole, 4,9-dihydro-6-methoxy-1-(3-pyridinyl)- is 277.12152 g/mol.
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