TL;DR: 3,8-Diazabicyclo(3.2.1)octane, 8-(2'-(p-aminobenzoyloxy)ethyl)-3-methyl- (CAS 63978-09-6) is a chemical compound with molecular formula C16H23N3O2 and molecular weight 289.17902 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl 4-aminobenzoate
Also Known As: 2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl 4-aminobenzoate, 8-(2'-(p-Aminobenzoyloxy)ethyl)-3-methyl-3,8-diazabicyclo(3.2.1)octane, 3,8-DIAZABICYCLO(3.2.1)OCTANE, 8-(2'-(p-AMINOBENZOYLOXY)ETHYL)-3-METHYL-, 8-[2- ethyl]-3-methyl-3,8-diazabicyclo[3.2.1]octane, 8-[2-(p-Aminobenzoyloxy)ethyl]-3-methyl-3,8-diazabicyclo[3.2.1]octane
| Molecular Formula | C16H23N3O2 |
| Molecular Weight | 289.17902 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 58.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.17902 Da |
| Heavy Atoms | 21 |
| Complexity | 355.0 |
| SMILES | CN1CC2CCC(C1)N2CCOC(=O)C3=CC=C(C=C3)N |
| InChIKey | SYVNKOFCGRDUIF-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,8-Diazabicyclo(3.2.1)octane, 8-(2'-(p-aminobenzoyloxy)ethyl)-3-methyl-. With a topological polar surface area (TPSA) of 58.8 Ų, 3,8-Diazabicyclo(3.2.1)octane, 8-(2'-(p-aminobenzoyloxy)ethyl)-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8-Diazabicyclo(3.2.1)octane, 8-(2'-(p-aminobenzoyloxy)ethyl)-3-methyl- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3,8-Diazabicyclo(3.2.1)octane, 8-(2'-(p-aminobenzoyloxy)ethyl)-3-methyl- is 63978-09-6.
The molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 8-(2'-(p-aminobenzoyloxy)ethyl)-3-methyl- is C16H23N3O2.
The molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 8-(2'-(p-aminobenzoyloxy)ethyl)-3-methyl- is 289.17902 g/mol.
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