TL;DR: 1-(4-fluorophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (CAS 1431965-08-0) is a chemical compound with molecular formula C18H17FN2O and molecular weight 296.13248 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-fluorophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Also Known As: 1-(4-fluorophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, 1-(4-fluorophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-beta-carboline, 1-(4-FLUOROPHENYL)-6-METHOXY-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE, 1-(4-fluorophenyl)-6-methoxy-1,2,3,4-tetrahydrobeta-carboline
| Molecular Formula | C18H17FN2O |
| Molecular Weight | 296.13248 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 37.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.13248 Da |
| Heavy Atoms | 22 |
| Complexity | 385.0 |
| SMILES | COC1=CC2=C(C=C1)NC3=C2CCNC3C4=CC=C(C=C4)F |
| InChIKey | XQZPTCJTTCSDTJ-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 1-(4-fluorophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.1 Ų, 1-(4-fluorophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-fluorophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole has 2 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 1-(4-fluorophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is 1431965-08-0.
The molecular formula of 1-(4-fluorophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is C18H17FN2O.
The molecular weight of 1-(4-fluorophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is 296.13248 g/mol.
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