TL;DR: 2,3,4,9-Tetrahydro-1-(2-nitrophenyl)-1H-pyrido(3,4-b)indole (CAS 139655-05-3) is a chemical compound with molecular formula C17H15N3O2 and molecular weight 293.11642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Also Known As: J3.358.429F, 1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-1-(2-nitrophenyl)-, 1-(2-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, 1-(2-Nitrophenyl)-1,2,3,4-tetrahydro-beta-carboline, 1-(2-NITROPHENYL)-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE
| Molecular Formula | C17H15N3O2 |
| Molecular Weight | 293.11642 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 73.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.11642 Da |
| Heavy Atoms | 22 |
| Complexity | 425.0 |
| SMILES | C1CNC(C2=C1C3=CC=CC=C3N2)C4=CC=CC=C4[N+](=O)[O-] |
| InChIKey | LRCOEXUORPUHJK-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 2,3,4,9-Tetrahydro-1-(2-nitrophenyl)-1H-pyrido(3,4-b)indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,4,9-Tetrahydro-1-(2-nitrophenyl)-1H-pyrido(3,4-b)indole. Following Lipinski's Rule of Five, 2,3,4,9-Tetrahydro-1-(2-nitrophenyl)-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 2,3,4,9-Tetrahydro-1-(2-nitrophenyl)-1H-pyrido(3,4-b)indole is 139655-05-3.
The molecular formula of 2,3,4,9-Tetrahydro-1-(2-nitrophenyl)-1H-pyrido(3,4-b)indole is C17H15N3O2.
The molecular weight of 2,3,4,9-Tetrahydro-1-(2-nitrophenyl)-1H-pyrido(3,4-b)indole is 293.11642 g/mol.
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