TL;DR: 2-methyl-1,4a,5,7,8,13,13b,13c-octahydro-4H-benzo[1,2]indolizino[8,7-b]indole (CAS 1212312-41-8) is a chemical compound with molecular formula C19H22N2 and molecular weight 278.17828 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),5,14,16,18-pentaene
Also Known As: 2-methyl-1,4a,5,7,8,13,13b,13c-octahydro-4H-benzo[1,2]indolizino[8,7-b]indole, 2-methyl-4,4a,5,7,8,13,13b,13c-octahydro-1H-benzo[1,2]indolizino[8,7-b]indole
| Molecular Formula | C19H22N2 |
| Molecular Weight | 278.17828 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 19.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.17828 Da |
| Heavy Atoms | 21 |
| Complexity | 456.0 |
| SMILES | CC1=CCC2CN3CCC4=C(C3C2C1)NC5=CC=CC=C45 |
| InChIKey | KQDDHWGHKMLCGS-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 2-methyl-1,4a,5,7,8,13,13b,13c-octahydro-4H-benzo[1,2]indolizino[8,7-b]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.0 Ų, 2-methyl-1,4a,5,7,8,13,13b,13c-octahydro-4H-benzo[1,2]indolizino[8,7-b]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-1,4a,5,7,8,13,13b,13c-octahydro-4H-benzo[1,2]indolizino[8,7-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 2-methyl-1,4a,5,7,8,13,13b,13c-octahydro-4H-benzo[1,2]indolizino[8,7-b]indole is 1212312-41-8.
The molecular formula of 2-methyl-1,4a,5,7,8,13,13b,13c-octahydro-4H-benzo[1,2]indolizino[8,7-b]indole is C19H22N2.
The molecular weight of 2-methyl-1,4a,5,7,8,13,13b,13c-octahydro-4H-benzo[1,2]indolizino[8,7-b]indole is 278.17828 g/mol.
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