TL;DR: methyl 1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate (CAS 1132929-52-2) is a chemical compound with molecular formula C16H20N2O2 and molecular weight 272.15247 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Also Known As: IDI1_004142, methyl 1-(propan-2-yl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate, Methyl 1-isopropyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, methyl 1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, methyl 1-isopropyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
| Molecular Formula | C16H20N2O2 |
| Molecular Weight | 272.15247 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 54.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.15247 Da |
| Heavy Atoms | 20 |
| Complexity | 371.0 |
| SMILES | CC(C)C1C2=C(CC(N1)C(=O)OC)C3=CC=CC=C3N2 |
| InChIKey | JYDHUPQJWUFVGK-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate. With a topological polar surface area (TPSA) of 54.1 Ų, methyl 1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate 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 methyl 1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate is 1132929-52-2.
The molecular formula of methyl 1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate is C16H20N2O2.
The molecular weight of methyl 1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate is 272.15247 g/mol.
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