TL;DR: 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-methyl-1-(2-methyl-2-propenyl)- (CAS 76177-24-7) is a chemical compound with molecular formula C16H20N2 and molecular weight 240.16264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-1-(2-methylprop-2-enyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
Also Known As: 7-Methoxy-5,8-dihydroisoquinoline-5,8-dione, 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-methyl-1-(2-methyl-2-propenyl)-, 2-methyl-1-(2-methylprop-2-enyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole, 2-Methyl-1-(2-methylprop-2-en-1-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
| Molecular Formula | C16H20N2 |
| Molecular Weight | 240.16264 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 19.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.16264 Da |
| Heavy Atoms | 18 |
| Complexity | 325.0 |
| SMILES | CC(=C)CC1C2=C(CCN1C)C3=CC=CC=C3N2 |
| InChIKey | OYJOWYUOPVYDMC-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-methyl-1-(2-methyl-2-propenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.0 Ų, 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-methyl-1-(2-methyl-2-propenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-methyl-1-(2-methyl-2-propenyl)- 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 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-methyl-1-(2-methyl-2-propenyl)- is 76177-24-7.
The molecular formula of 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-methyl-1-(2-methyl-2-propenyl)- is C16H20N2.
The molecular weight of 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-methyl-1-(2-methyl-2-propenyl)- is 240.16264 g/mol.
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