TL;DR: (1R,5S)-3-(3-Hydroxyphenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione (CAS 1212097-10-3) is a chemical compound with molecular formula C16H19NO3 and molecular weight 273.1365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,5S)-3-(3-hydroxyphenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
Also Known As: (1R,5S)-3-(3-HYDROXYPHENYL)-1,8,8-TRIMETHYL-3-AZABICYCLO[3.2.1]OCTANE-2,4-DIONE, (1S,5R)-3-(3-hydroxyphenyl)-5,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
| Molecular Formula | C16H19NO3 |
| Molecular Weight | 273.1365 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.1365 Da |
| Heavy Atoms | 20 |
| Complexity | 459.0 |
| SMILES | C[C@@]12CC[C@@H](C1(C)C)C(=O)N(C2=O)C3=CC(=CC=C3)O |
| InChIKey | VDRPSLUXOITOIZ-WBMJQRKESA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,5S)-3-(3-Hydroxyphenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione. With a topological polar surface area (TPSA) of 57.6 Ų, (1R,5S)-3-(3-Hydroxyphenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,5S)-3-(3-Hydroxyphenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione 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 (1R,5S)-3-(3-Hydroxyphenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione is 1212097-10-3.
The molecular formula of (1R,5S)-3-(3-Hydroxyphenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione is C16H19NO3.
The molecular weight of (1R,5S)-3-(3-Hydroxyphenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione is 273.1365 g/mol.
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