TL;DR: 1-Phenyl-3H,4H,9H-pyrido[3,4-B]indole (CAS 10022-79-4) is a chemical compound with molecular formula C17H14N2 and molecular weight 246.11569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole
Also Known As: 1-PHENYL-3H,4H,9H-PYRIDO[3,4-B]INDOLE, 1-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole, 1-PHENYL-3,4-DIHYDROBETA-CARBOLINE, 3H-Pyrido[3,4-b]indole, 4,9-dihydro-1-phenyl-, 1-Phenyl-3,4-dihydro-beta-carboline
| Molecular Formula | C17H14N2 |
| Molecular Weight | 246.11569 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 28.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.11569 Da |
| Heavy Atoms | 19 |
| Complexity | 356.0 |
| SMILES | C1CN=C(C2=C1C3=CC=CC=C3N2)C4=CC=CC=C4 |
| InChIKey | LDMKQGDSXJEJHC-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 1-Phenyl-3H,4H,9H-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 28.2 Ų, 1-Phenyl-3H,4H,9H-pyrido[3,4-B]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-3H,4H,9H-pyrido[3,4-B]indole has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Phenyl-3H,4H,9H-pyrido[3,4-B]indole is 10022-79-4.
The molecular formula of 1-Phenyl-3H,4H,9H-pyrido[3,4-B]indole is C17H14N2.
The molecular weight of 1-Phenyl-3H,4H,9H-pyrido[3,4-B]indole is 246.11569 g/mol.
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