TL;DR: Pyrido[4,3-b]indole, 1,2,3,4,4a,9b-hexahydro-5-acetyl-2,8-dimethyl- (CAS 143202-51-1) is a chemical compound with molecular formula C15H20N2O and molecular weight 244.15756 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)ethanone
Also Known As: Pyrido[4,3-b]indole, 1,2,3,4,4a,9b-hexahydro-5-acetyl-2,8-dimethyl-, 1H-PYRIDO[4,3-B]INDOLE, 5-ACETYL-2,3,4,4A,5,9B-H, 5-Acetyl-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole #, 1-(2,8-Dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)ethan-1-one, 1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)ethanone
| Molecular Formula | C15H20N2O |
| Molecular Weight | 244.15756 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 244.15756 Da |
| Heavy Atoms | 18 |
| Complexity | 343.0 |
| SMILES | CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=O)C |
| InChIKey | ONFJJOVKVXBKOS-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrido[4,3-b]indole, 1,2,3,4,4a,9b-hexahydro-5-acetyl-2,8-dimethyl-. With a topological polar surface area (TPSA) of 23.6 Ų, Pyrido[4,3-b]indole, 1,2,3,4,4a,9b-hexahydro-5-acetyl-2,8-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrido[4,3-b]indole, 1,2,3,4,4a,9b-hexahydro-5-acetyl-2,8-dimethyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyrido[4,3-b]indole, 1,2,3,4,4a,9b-hexahydro-5-acetyl-2,8-dimethyl- is 143202-51-1.
The molecular formula of Pyrido[4,3-b]indole, 1,2,3,4,4a,9b-hexahydro-5-acetyl-2,8-dimethyl- is C15H20N2O.
The molecular weight of Pyrido[4,3-b]indole, 1,2,3,4,4a,9b-hexahydro-5-acetyl-2,8-dimethyl- is 244.15756 g/mol.
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