TL;DR: 4-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-5H-pyrimido[5,4-b]indole (CAS 1214632-68-4) is a chemical compound with molecular formula C20H24N4 and molecular weight 320.2001 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-5H-pyrimido[5,4-b]indole
Also Known As: 4-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-5H-pyrimido[5,4-b]indole, 4-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)-5H-pyrimido[5,4-b]indole
| Molecular Formula | C20H24N4 |
| Molecular Weight | 320.2001 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.2001 Da |
| Heavy Atoms | 24 |
| Complexity | 506.0 |
| SMILES | CC1(CC2CC(C1)(CN2C3=NC=NC4=C3NC5=CC=CC=C54)C)C |
| InChIKey | QIOBAEDFAIGJNV-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that 4-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-5H-pyrimido[5,4-b]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 4-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-5H-pyrimido[5,4-b]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-5H-pyrimido[5,4-b]indole has 1 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 4-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-5H-pyrimido[5,4-b]indole is 1214632-68-4.
The molecular formula of 4-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-5H-pyrimido[5,4-b]indole is C20H24N4.
The molecular weight of 4-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-5H-pyrimido[5,4-b]indole is 320.2001 g/mol.
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